4-bromo-3-hydroxybenzoic acid
CAS No.：
Cat. No.: SC251012
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Product Name :4-bromo-3-hydroxybenzoic acid
Cat. No.: :SC251012
Purity / Specification :—
CAS No. :14348-38-0
MDL No. :MFCD08056371
Molecular Formula :C7H5BrO3
LogP :2.20
Molecular Weight :217.02
TPSA :57.5
Category :CDMO
HSN Code :—
SMILES Code :C1=CC(=C(C=C1C(=O)O)O)Br
Melting Point :—
InChI Key : :PAJSESFUWIYFNF-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 217.0 Da
LogP ≤ 5✓ 2.20
HBD ≤ 5✓ 2
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i81/100
Good drug-like profile
Predicted LogP
i2.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 57.5Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.