Glycerol phenylbutyrate

Cat. No.: PI611168242

Product Details Other Identifiers Computed Properties

CAS	611168-24-2
Purity	97%
Molecular Formula	C33H38O6
Molecular Weight	530.65
Molar Refractivity	151.53

Pubchem ID	10482134
InChI Key	ZSDBFLMJVAGKOU-UHFFFAOYSA-N
MDL Number	MFCD28016960

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	20
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	39
Aromatic Heavy Atoms Number	18
Fraction Csp3	0.36
Log Po/w (iLOGP)	4.74
Log Po/w (XLOGP3)	6.7
Log Po/w (WLOGP)	6.05
Log Po/w (MLOGP)	5.1
Log Po/w (SILICOS-IT)	8.03
Consensus Log Po/w	6.12
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-4.78 cm/s
Lipinski	2.0
Ghose	None
Veber	1.0
Egan	1.0
Muegge	2.0
Bioavailability Score	0.17
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	3.0
Synthetic Accessibility	3.75

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