Benzyl (3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)carbamate

Name: Benzyl (3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)carbamate
SKU: PI1220910893
Rating: 5 (1 reviews)

Cat. No.: PI1220910893

Product Details Other Identifiers Computed Properties

CAS	1220910-89-3
Purity	97%
Molecular Formula	C21H17FN6O2
Molecular Weight	404.40
Molar Refractivity	107.98

Pubchem ID	73014119
InChI Key	GIBJIBYBOVNDET-UHFFFAOYSA-N
MDL Number	MFCD22418002

Aromatic Heavy Atoms Number	23
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	3.39
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.1
Ghose	None
GI Absorption	High
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	7.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.25 cm/s
Log Po/w (iLOGP)	3.47
Log Po/w (MLOGP)	3.22
Log Po/w (SILICOS-IT)	2.82
Log Po/w (WLOGP)	3.9
Log Po/w (XLOGP3)	3.55
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	7
Synthetic Accessibility	3.35
Topological Polar Surface Area	94.82 Å²
Veber	0.0

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