(R)-4-Hydroxy-N,N-diphenylpent-2-ynamide

Cat. No.: PI899809611

Product Details Other Identifiers Computed Properties

CAS	899809-61-1
Purity	95%
Molecular Formula	C17H15NO2
Molecular Weight	265.31
Molar Refractivity	79.64

Pubchem ID	57892468
InChI Key	YGFCFRBHEOHPJI-CQSZACIVSA-N
MDL Number	MFCD28972389

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	40.54 Å²
Heavy Atom Count	20
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.12
Log Po/w (iLOGP)	2.89
Log Po/w (XLOGP3)	2.98
Log Po/w (WLOGP)	2.82
Log Po/w (MLOGP)	3.07
Log Po/w (SILICOS-IT)	2.52
Consensus Log Po/w	2.85
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.8 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	3.53

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