5-Bromo-2-chlorobenzoic acid

Name: 5-Bromo-2-chlorobenzoic acid
SKU: PI21739924
Rating: 5 (1 reviews)

Catalog NumberPI21739924

CAS Number21739-92-4

CategoryBlood Glucose Regulators Intermediates

Product Details

Purity	98%
Molecular Formula	C7H4BrClO2
Molecular Weight	235.46
Molar Refractivity	46.11

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Other Identifiers

MDL Number

MFCD00002415

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.56
Brenk	0.0 alert
Consensus Log Po/w	2.56
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.0
Ghose	None
GI Absorption	High
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.69 cm/s
Log Po/w (iLOGP)	1.64
Log Po/w (MLOGP)	2.94
Log Po/w (SILICOS-IT)	2.54
Log Po/w (WLOGP)	2.8
Log Po/w (XLOGP3)	2.88
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	1
Synthetic Accessibility	1.5
Topological Polar Surface Area	37.3 Å²
Veber	0.0

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