Methyl 5-bromo-2-hydroxybenzoate

Cat. No.: PI4068762

Product Details Other Identifiers Computed Properties

CAS	4068-76-2
Purity	97%
Molecular Formula	C8H7BrO3
Molecular Weight	231.04
Molar Refractivity	47.44

Pubchem ID	77683
InChI Key	FJYDBKPPGRZSOZ-UHFFFAOYSA-N
MDL Number	MFCD00016460

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	2
Topological Polar Surface Area	46.53 Å²
Heavy Atom Count	12
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.12
Log Po/w (iLOGP)	1.97
Log Po/w (XLOGP3)	3.56
Log Po/w (WLOGP)	1.94
Log Po/w (MLOGP)	2.06
Log Po/w (SILICOS-IT)	1.89
Consensus Log Po/w	2.28
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.18 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	1.56

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