Home Cart 0 Sign in  

[ CAS No. 936030-54-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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+
Chemical Structure| 936030-54-5
Chemical Structure| 936030-54-5
Structure of 936030-54-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 936030-54-5 ]

Related Doc. of [ 936030-54-5 ]

Alternatived Products of [ 936030-54-5 ]

Product Details of [ 936030-54-5 ]

CAS No. :936030-54-5 MDL No. :MFCD19440940
Formula : C8H11BF4N2 Boiling Point : -
Linear Structure Formula :- InChI Key :DTVAFBUNEWEZLN-UHFFFAOYSA-N
M.W : 221.99 Pubchem ID :87465336
Synonyms :

Calculated chemistry of [ 936030-54-5 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.12
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.74
TPSA : 8.81 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.03 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.7
Log Po/w (WLOGP) : 3.93
Log Po/w (MLOGP) : 1.44
Log Po/w (SILICOS-IT) : 0.87
Consensus Log Po/w : 1.99

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.6
Solubility : 0.0563 mg/ml ; 0.000254 mol/l
Class : Soluble
Log S (Ali) : -3.58
Solubility : 0.059 mg/ml ; 0.000266 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.85
Solubility : 31.1 mg/ml ; 0.14 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.47

Safety of [ 936030-54-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P270-P264-P280-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405 UN#:1759
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Parent Nucleus of
[ 936030-54-5 ]

Aromatic Heterocycles

Chemical Structure| 936030-51-2

[ 936030-51-2 ]

1-Ethyl-3-vinyl-1H-imidazol-3-ium tetrafluoroborate

Similarity: 0.93

Chemical Structure| 100894-64-2

[ 100894-64-2 ]

1-Allyl-3-vinylimidazolium chloride

Similarity: 0.86