Methyl 3-bromo-4-hydroxybenzoate

Name: Methyl 3-bromo-4-hydroxybenzoate
SKU: PI29415972
Rating: 5 (1 reviews)

Catalog NumberPI29415972

CAS Number29415-97-2

CategoryDental & Oral Agents Intermediates

Product Details

Purity	98%
Molecular Formula	C8H7BrO3
Molecular Weight	231.04
Molar Refractivity	47.44

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Other Identifiers

Pubchem ID	4778958
InChI Key	RKUNSPWAQIUGEZ-UHFFFAOYSA-N
MDL Number	MFCD06203850

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.09
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)	-6.02 cm/s
Log Po/w (iLOGP)	2.16
Log Po/w (MLOGP)	2.06
Log Po/w (SILICOS-IT)	1.89
Log Po/w (WLOGP)	1.94
Log Po/w (XLOGP3)	2.38
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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