alpha-Cyclopentylmandelic Acid

Name: alpha-Cyclopentylmandelic Acid
SKU: PI427496
Rating: 5 (1 reviews)

Catalog NumberPI427496

CAS Number427-49-6

CategoryGastrointestinal Agents Intermediates

Product Details

Purity	97%
Molecular Formula	C13H16O3
Molecular Weight	220.26
Molar Refractivity	60.95

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Other Identifiers

Pubchem ID	98283
InChI Key	WFLUEQCOAQCQLP-UHFFFAOYSA-N
MDL Number	MFCD00019296

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.56
Brenk	0.0 alert
Consensus Log Po/w	2.04
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.46
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.88 cm/s
Log Po/w (iLOGP)	1.8
Log Po/w (MLOGP)	1.86
Log Po/w (SILICOS-IT)	2.04
Log Po/w (WLOGP)	2.04
Log Po/w (XLOGP3)	2.48
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	2.29
Topological Polar Surface Area	57.53 Å²
Veber	0.0

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