3-((2S,3R)-2-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoic acid

Name: 3-((2S,3R)-2-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-4-oxoazetidin-3-yl)propanoic acid
SKU: PI204589822
Rating: 5 (1 reviews)

Cat. No.: PI204589822

Product Details Other Identifiers Computed Properties

CAS	204589-82-2
Purity	95%
Molecular Formula	C25H22FNO4
Molecular Weight	419.45
Molar Refractivity	118.09

Pubchem ID	10669746
InChI Key	YOJPXOLPAHAPAQ-ISKFKSNPSA-N
MDL Number	MFCD13194800

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	8
Topological Polar Surface Area	66.84 Å²
Heavy Atom Count	31
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.2
Log Po/w (iLOGP)	3.39
Log Po/w (XLOGP3)	3.97
Log Po/w (WLOGP)	4.54
Log Po/w (MLOGP)	4.5
Log Po/w (SILICOS-IT)	4.56
Consensus Log Po/w	4.19
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.04 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	3.0
Synthetic Accessibility	3.31

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