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[ CAS No. 1260150-04-6 ] {[proInfo.proName]}

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Chemical Structure| 1260150-04-6
Chemical Structure| 1260150-04-6
Structure of 1260150-04-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1260150-04-6 ]

CAS No. :1260150-04-6 MDL No. :MFCD06801709
Formula : C14H20BNO4 Boiling Point : -
Linear Structure Formula :- InChI Key :WCXMMFHVJAIPBW-UHFFFAOYSA-N
M.W : 277.12 Pubchem ID :54758865
Synonyms :

Calculated chemistry of [ 1260150-04-6 ]

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 82.01
TPSA : 70.0 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.96
Log Po/w (WLOGP) : 0.67
Log Po/w (MLOGP) : 1.11
Log Po/w (SILICOS-IT) : -0.13
Consensus Log Po/w : 0.72

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.75
Solubility : 0.492 mg/ml ; 0.00177 mol/l
Class : Soluble
Log S (Ali) : -3.06
Solubility : 0.244 mg/ml ; 0.000881 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.35
Solubility : 1.23 mg/ml ; 0.00444 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.7

Safety of [ 1260150-04-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:
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