There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
Structure of 701-27-9
*Storage: {[sel_prStorage]}
*Shipping: {[sel_prShipping]}
The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
4.5
*For Research Use Only !
Change View
Size | Price | VIP Price | US Stock |
Global Stock |
In Stock | ||
{[ item.pr_size ]} |
Inquiry
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.discount_usd) ]} {[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]} |
Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]} | Inquiry {[ item.pr_usastock ]} In Stock Inquiry - | {[ item.pr_chinastock ]} {[ item.pr_remark ]} In Stock 1-2 weeks - Inquiry - | Login | - + | Inquiry |
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days
1-2weeks
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd,1,item.mem_rate,item.pr_is_large_size_no_price, item.pr_usd) ]}
Inquiry
{[ getRatePrice(item.pr_usd,item.pr_rate,1,item.pr_is_large_size_no_price, item.vip_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
{[ getRatePrice(item.pr_usd, 1,1,item.pr_is_large_size_no_price, item.pr_usd) ]}
In Stock
- +
Please Login or Create an Account to: See VIP prices and availability
US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Fuchs, Kamila ; Janek, Tomasz ; Karpl, Mateusz ; Władyczyn, Anna ; Ejfler, Jolanta ; John, Łukasz
Abstract: This work introduces a novel class of hybrid antimicrobial agents by integrating sulfone and sulfonamide functionalities with polyhedral oligomeric silsesquioxanes (POSSs). By employing efficient synthetic protocols, we have successfully prepared both sulfone (ethylvinylsulfone-POSS and phenylethylsulfone-POSS) and sulfonamide (benzenesulfonamide-POSS, p-toluenesulfonamide-POSS, 3-fluorobenzenesulfonamide-POSS, and 2-naphthalenesulfonamide-POSS) derivatives with high yields (73−90%). All derivatives were examined using Fourier transform infrared spectroscopy, multinuclear (1H, 13C, 13F, and 29Si) NMR spectroscopy, MALDI-ToF MS spectrometry, and elemental analysis. Additionally, the crystal structure of the p-toluenesulfonamide-POSS hybrid was revealed. The unique cage-like POSS structure not only imparts enhanced thermal and chemical stability, a common feature of silsesquioxane-based hybrids, but also boosts the lipophilic character of these compounds, thereby facilitating their interaction with microbial membranes. This interaction, likely resulting in membrane disruption and cell lysis, translates into potent antimicrobial activity (against Escherichia coli, Pseudomonas aeruginosa, Enterococcus hirae, Staphylococcus aureus, and Candida albicans)—especially against Gram-positive bacteria—at remarkably low minimum inhibitory concentrations in the range from 125 to 3000 μM. In turn, E. hirae and S. aureus were more susceptible compared to Gram-negative bacteria and C. albicans. The strategic incorporation of POSSs into these sulfur-based moieties represents a significant breakthrough, opening new avenues for the development of advanced antimicrobial coatings and therapeutic agents in the fight against antibiotic resistance.
Show More >
CAS No. : | 701-27-9 |
Formula : | C6H4ClFO2S |
M.W : | 194.61 |
SMILES Code : | O=S(C1=CC=CC(F)=C1)(Cl)=O |
MDL No. : | MFCD00042286 |
InChI Key : | OKYSUJVCDXZGKE-UHFFFAOYSA-N |
Pubchem ID : | 2734258 |
GHS Pictogram: |
![]() |
Signal Word: | Danger |
Hazard Statements: | H314 |
Precautionary Statements: | P280-P305+P351+P338-P310 |
Class: | 8 |
UN#: | 3265 |
Packing Group: | Ⅱ |
Num. heavy atoms | 11 |
Num. arom. heavy atoms | 6 |
Fraction Csp3 | 0.0 |
Num. rotatable bonds | 1 |
Num. H-bond acceptors | 3.0 |
Num. H-bond donors | 0.0 |
Molar Refractivity | 39.48 |
TPSA ? Topological Polar Surface Area: Calculated from |
42.52 Ų |
Log Po/w (iLOGP)? iLOGP: in-house physics-based method implemented from |
1.66 |
Log Po/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by |
2.04 |
Log Po/w (WLOGP)? WLOGP: Atomistic method implemented from |
3.25 |
Log Po/w (MLOGP)? MLOGP: Topological method implemented from |
1.95 |
Log Po/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by |
1.77 |
Consensus Log Po/w? Consensus Log Po/w: Average of all five predictions |
2.13 |
Log S (ESOL):? ESOL: Topological method implemented from |
-2.67 |
Solubility | 0.417 mg/ml ; 0.00214 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (Ali)? Ali: Topological method implemented from |
-2.56 |
Solubility | 0.535 mg/ml ; 0.00275 mol/l |
Class? Solubility class: Log S scale |
Soluble |
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by |
-3.22 |
Solubility | 0.117 mg/ml ; 0.000601 mol/l |
Class? Solubility class: Log S scale |
Soluble |
GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg |
High |
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg |
Yes |
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) |
No |
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) |
Yes |
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) |
No |
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) |
No |
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) |
No |
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) |
No |
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from |
-6.04 cm/s |
Lipinski? Lipinski (Pfizer) filter: implemented from |
0.0 |
Ghose? Ghose filter: implemented from |
None |
Veber? Veber (GSK) filter: implemented from |
0.0 |
Egan? Egan (Pharmacia) filter: implemented from |
0.0 |
Muegge? Muegge (Bayer) filter: implemented from |
1.0 |
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat |
0.55 |
PAINS? Pan Assay Interference Structures: implemented from |
0.0 alert |
Brenk? Structural Alert: implemented from |
0.0 alert: heavy_metal |
Leadlikeness? Leadlikeness: implemented from |
No; 1 violation:MW<1.0 |
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) |
1.89 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | EXAMPLE 21 3-Fluoro-N-(4-bromo-3-methyl-5-isoxazolyl)benzenesulfonamide 3-Fluoro-N-(4-bromo-3-methyl-5-isoxazolyl) benzenesulfonamide was prepared from <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> and 3-fluorobenzenesulfonyl chloride according to the procedures described in Example 1b. The crude product was purified by recrystallization from ethyl acetate/hexanes to give a light yellow solid, m.p. 125-128 C., yield 88%. | |
88% | EXAMPLE 61 3-Fluoro-N-(4-bromo-3-methyl-5-isoxazolyl)benzenesulfonamide 3-Fluoro-N-(4-bromo-3-methyl-5-isoxazolyl)benzenesulfonamide was prepared from <strong>[33084-49-0]5-amino-4-bromo-3-methylisoxazole</strong> and 3-fluorobenzenesulfonyl chloride according to the procedures described in Example 40b. The crude product was purified by recrystallization from ethyl acetate/hexanes to give a light yellow solid, m.p. 125-128 C., yield 88%. |
A947771 [349-88-2]
4-Fluorobenzene-1-sulfonyl chloride
Similarity: 0.98
A462045 [210532-25-5]
3,5-Difluorobenzene-1-sulfonyl chloride
Similarity: 0.96
A266144 [2905-21-7]
2-Fluorobenzene-1-sulfonyl chloride
Similarity: 0.91
A220276 [351003-43-5]
3,4,5-Trifluorobenzene-1-sulfonyl chloride
Similarity: 0.90
A642197 [26120-86-5]
2,5-Difluorobenzene-1-sulfonyl chloride
Similarity: 0.90
A947771 [349-88-2]
4-Fluorobenzene-1-sulfonyl chloride
Similarity: 0.98
A462045 [210532-25-5]
3,5-Difluorobenzene-1-sulfonyl chloride
Similarity: 0.96
A266144 [2905-21-7]
2-Fluorobenzene-1-sulfonyl chloride
Similarity: 0.91
A220276 [351003-43-5]
3,4,5-Trifluorobenzene-1-sulfonyl chloride
Similarity: 0.90
A642197 [26120-86-5]
2,5-Difluorobenzene-1-sulfonyl chloride
Similarity: 0.90
A947771 [349-88-2]
4-Fluorobenzene-1-sulfonyl chloride
Similarity: 0.98
A266144 [2905-21-7]
2-Fluorobenzene-1-sulfonyl chloride
Similarity: 0.91
A220276 [351003-43-5]
3,4,5-Trifluorobenzene-1-sulfonyl chloride
Similarity: 0.90
A642197 [26120-86-5]
2,5-Difluorobenzene-1-sulfonyl chloride
Similarity: 0.90
A466251 [175278-08-7]
2,3,4-Trifluorobenzene-1-sulfonyl chloride
Similarity: 0.86
A947771 [349-88-2]
4-Fluorobenzene-1-sulfonyl chloride
Similarity: 0.98
A462045 [210532-25-5]
3,5-Difluorobenzene-1-sulfonyl chloride
Similarity: 0.96
A266144 [2905-21-7]
2-Fluorobenzene-1-sulfonyl chloride
Similarity: 0.91
A220276 [351003-43-5]
3,4,5-Trifluorobenzene-1-sulfonyl chloride
Similarity: 0.90
A642197 [26120-86-5]
2,5-Difluorobenzene-1-sulfonyl chloride
Similarity: 0.90