4-Bromo-2-methoxybenzoic acid

Name: 4-Bromo-2-methoxybenzoic acid
SKU: PI72135365
Rating: 5 (1 reviews)

Cat. No.: PI72135365

Product Details Other Identifiers Computed Properties

CAS	72135-36-5
Purity	98%
Molecular Formula	C8H7BrO3
Molecular Weight	231.04
Molar Refractivity	47.59

Pubchem ID	13450755
InChI Key	CEZLPETXJOGAKX-UHFFFAOYSA-N
MDL Number	MFCD07780665

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.56
Brenk	0.0 alert
Consensus Log Po/w	1.94
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.12
Ghose	None
GI Absorption	High
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.42 cm/s
Log Po/w (iLOGP)	1.8
Log Po/w (MLOGP)	2.06
Log Po/w (SILICOS-IT)	1.89
Log Po/w (WLOGP)	2.16
Log Po/w (XLOGP3)	1.82
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.47
Topological Polar Surface Area	46.53 Å²
Veber	0.0

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