(R)-3-Bromo-2-hydroxy-2-methylpropanoic acid

Cat. No.: PI261904396

Product Details Other Identifiers Computed Properties

CAS	261904-39-6
Purity	97%
Molecular Formula	C4H7BrO3
Molecular Weight	183.00
Molar Refractivity	32.18

Pubchem ID	10582468
InChI Key	HBJAYXGUOOININ-BYPYZUCNSA-N
MDL Number	MFCD09751022

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	2
Topological Polar Surface Area	57.53 Å²
Heavy Atom Count	8
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.75
Log Po/w (iLOGP)	1.01
Log Po/w (XLOGP3)	0.12
Log Po/w (WLOGP)	0.22
Log Po/w (MLOGP)	0.21
Log Po/w (SILICOS-IT)	0.05
Consensus Log Po/w	0.32
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.33 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.56
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.49

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