Home Cart 0 Sign in  

[ CAS No. 367252-09-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 367252-09-3
Chemical Structure| 367252-09-3
Structure of 367252-09-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 367252-09-3 ]

Related Doc. of [ 367252-09-3 ]

Alternatived Products of [ 367252-09-3 ]

Product Details of [ 367252-09-3 ]

CAS No. :367252-09-3 MDL No. :MFCD19704863
Formula : C11H16BF4N3OS Boiling Point : -
Linear Structure Formula :- InChI Key :QGJXDGWPRBAYJB-UHFFFAOYSA-N
M.W : 325.13 Pubchem ID :71306484
Synonyms :

Calculated chemistry of [ 367252-09-3 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.45
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 86.31
TPSA : 57.01 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) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.67
Log Po/w (WLOGP) : 2.97
Log Po/w (MLOGP) : 2.35
Log Po/w (SILICOS-IT) : -0.25
Consensus Log Po/w : 1.55

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.62
Solubility : 0.0785 mg/ml ; 0.000241 mol/l
Class : Soluble
Log S (Ali) : -3.52
Solubility : 0.0984 mg/ml ; 0.000303 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.0
Solubility : 3.24 mg/ml ; 0.00995 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.59

Safety of [ 367252-09-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records