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[ CAS No. 267402-71-1 ] {[proInfo.proName]}

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Chemical Structure| 267402-71-1
Chemical Structure| 267402-71-1
Structure of 267402-71-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 267402-71-1 ]

CAS No. :267402-71-1 MDL No. :MFCD02683596
Formula : C24H28N6O2 Boiling Point : -
Linear Structure Formula :- InChI Key :IDCOTQWQVPRTNK-UHFFFAOYSA-N
M.W : 432.52 Pubchem ID :4273
Synonyms :

Calculated chemistry of [ 267402-71-1 ]

Physicochemical Properties

Num. heavy atoms : 32
Num. arom. heavy atoms : 21
Fraction Csp3 : 0.29
Num. rotatable bonds : 9
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 126.77
TPSA : 86.12 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.38
Log Po/w (XLOGP3) : 4.32
Log Po/w (WLOGP) : 3.96
Log Po/w (MLOGP) : 2.63
Log Po/w (SILICOS-IT) : 3.3
Consensus Log Po/w : 3.72

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.13
Solubility : 0.00317 mg/ml ; 0.00000733 mol/l
Class : Moderately soluble
Log S (Ali) : -5.84
Solubility : 0.000621 mg/ml ; 0.00000144 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -8.26
Solubility : 0.00000238 mg/ml ; 0.0000000055 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.36

Safety of [ 267402-71-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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