Terbinafine

Name: Terbinafine
SKU: PI91161716
Rating: 5 (1 reviews)

Cat. No.: PI91161716

Product Details Other Identifiers Computed Properties

CAS	91161-71-6
Synonyms	(E)-N,6,6-Trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
Purity	98%
Molecular Formula	C21H25N
Molecular Weight	291.43
Molar Refractivity	97.31

Pubchem ID	1549008
InChI Key	DOMXUEMWDBAQBQ-WEVVVXLNSA-N
MDL Number	MFCD00242672

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	4
Topological Polar Surface Area	3.24 Å²
Heavy Atom Count	22
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.33
Log Po/w (iLOGP)	4.15
Log Po/w (XLOGP3)	5.59
Log Po/w (WLOGP)	4.81
Log Po/w (MLOGP)	4.89
Log Po/w (SILICOS-IT)	5.16
Consensus Log Po/w	4.92
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-4.11 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.09

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