(2S,3aS,7aS)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)octahydro-1H-indole-2-carboxylic acid

Cat. No.: PI130309374

Product Details Other Identifiers Computed Properties

CAS	130309-37-4
Purity	98%
Molecular Formula	C24H25NO4
Molecular Weight	391.46
Molar Refractivity	113.79

MDL Number

MFCD09750487

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	5
Topological Polar Surface Area	66.84 Å²
Heavy Atom Count	29
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.42
Log Po/w (iLOGP)	2.99
Log Po/w (XLOGP3)	4.71
Log Po/w (WLOGP)	4.27
Log Po/w (MLOGP)	3.65
Log Po/w (SILICOS-IT)	3.21
Consensus Log Po/w	3.77
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.34 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.85
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	4.23

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