Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 28691-49-8 | MDL No. : | MFCD09027540 |
Formula : | C8H4ClNO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | NWWICAZKQSVOGE-UHFFFAOYSA-N |
M.W : | 197.58 | Pubchem ID : | 55253790 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 45.98 |
TPSA : | 63.33 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.95 cm/s |
Log Po/w (iLOGP) : | 1.6 |
Log Po/w (XLOGP3) : | 2.19 |
Log Po/w (WLOGP) : | 2.18 |
Log Po/w (MLOGP) : | 1.31 |
Log Po/w (SILICOS-IT) : | 1.87 |
Consensus Log Po/w : | 1.83 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -2.89 |
Solubility : | 0.254 mg/ml ; 0.00129 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.15 |
Solubility : | 0.139 mg/ml ; 0.000702 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.91 |
Solubility : | 0.244 mg/ml ; 0.00123 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.31 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
* 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.
[ 719-64-2 ]
5-Chloro-3-phenylbenzo[c]isoxazole
Similarity: 0.75
[ 4104-35-2 ]
5-Chloro-3-methylbenzo[c]isoxazole
Similarity: 0.72
[ 325744-41-0 ]
5-(Chloromethyl)-3-(4-methoxyphenyl)isoxazole
Similarity: 0.67
[ 28691-47-6 ]
Benzo[d]isoxazole-3-carboxylic acid
Similarity: 0.85
[ 14441-90-8 ]
5-Phenylisoxazole-3-carboxylic acid
Similarity: 0.71
[ 33282-16-5 ]
5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid
Similarity: 0.71
[ 78967-07-4 ]
2-(3,4-Bis(4-methoxyphenyl)isoxazol-5-yl)acetic acid
Similarity: 0.67
[ 98434-06-1 ]
5-(Furan-2-yl)isoxazole-3-carboxylic acid
Similarity: 0.66
[ 28691-47-6 ]
Benzo[d]isoxazole-3-carboxylic acid
Similarity: 0.85
[ 57764-49-5 ]
Ethyl benzo[d]isoxazole-3-carboxylate
Similarity: 0.79
[ 57764-50-8 ]
Ethyl 6-hydroxybenzo[d]isoxazole-3-carboxylate
Similarity: 0.78
[ 719-64-2 ]
5-Chloro-3-phenylbenzo[c]isoxazole
Similarity: 0.75
[ 4104-35-2 ]
5-Chloro-3-methylbenzo[c]isoxazole
Similarity: 0.72