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[ CAS No. 1256360-51-6 ] {[proInfo.proName]}

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Chemical Structure| 1256360-51-6
Chemical Structure| 1256360-51-6
Structure of 1256360-51-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1256360-51-6 ]

CAS No. :1256360-51-6 MDL No. :MFCD18087732
Formula : C17H25BFNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :VSRFPDFCDOCPEQ-UHFFFAOYSA-N
M.W : 321.20 Pubchem ID :53217280
Synonyms :

Calculated chemistry of [ 1256360-51-6 ]

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.65
Num. rotatable bonds : 3
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 92.85
TPSA : 30.93 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.47
Log Po/w (WLOGP) : 1.84
Log Po/w (MLOGP) : 1.68
Log Po/w (SILICOS-IT) : 2.6
Consensus Log Po/w : 1.72

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.38
Solubility : 0.133 mg/ml ; 0.000414 mol/l
Class : Soluble
Log S (Ali) : -2.76
Solubility : 0.553 mg/ml ; 0.00172 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.84
Solubility : 0.00459 mg/ml ; 0.0000143 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.38

Safety of [ 1256360-51-6 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H317-H319 Packing Group:
GHS Pictogram:
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