5-Methyl-3,4-diphenylisoxazole

Name: 5-Methyl-3,4-diphenylisoxazole
SKU: PI37928179
Rating: 5 (1 reviews)

Cat. No.: PI37928179

Product Details Other Identifiers Computed Properties

CAS	37928-17-9
Purity	97%
Molecular Formula	C16H13NO
Molecular Weight	235.28
Molar Refractivity	72.34

Pubchem ID	9991673
InChI Key	ZXIRUKJWLADSJS-UHFFFAOYSA-N
MDL Number	MFCD18449672

Aromatic Heavy Atoms Number	17
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	3.77
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.06
Ghose	None
GI Absorption	High
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-4.85 cm/s
Log Po/w (iLOGP)	2.86
Log Po/w (MLOGP)	3.14
Log Po/w (SILICOS-IT)	4.46
Log Po/w (WLOGP)	4.32
Log Po/w (XLOGP3)	4.06
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	3.13
Topological Polar Surface Area	26.03 Å²
Veber	0.0

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