3-Chloro-4-hydroxybenzoic acid
TL;DR: 3-Chloro-4-hydroxybenzoic acid (CAS 3964-58-7) is a chemical compound with molecular formula C7H5ClO3 and molecular weight 171.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-hydroxybenzoic acid
Also Known As: 3-CHLORO-4-HYDROXYBENZOIC ACID, 3-Chloro-4-hydroxybenzoate, Benzoic acid, 3-chloro-4-hydroxy-, 3-chloro-4-hydroxy-benzoic acid, 4-hydroxy-3-chlorobenzoic acid
| Molecular Formula | C7H5ClO3 |
|---|---|
| Molecular Weight | 171.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.99272 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 3964-58-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)Cl)O |
| InChIKey | QGNLHMKIGMZKJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4-hydroxybenzoic acid (CAS 3964-58-7), with molecular formula C7H5ClO3 and molecular weight 171.99 g/mol. IUPAC: 3-chloro-4-hydroxybenzoic acid.
Chemical Property Profile of 3-Chloro-4-hydroxybenzoic acid
Property Insights of 3-Chloro-4-hydroxybenzoic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-hydroxybenzoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Chloro-4-hydroxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-hydroxybenzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-hydroxybenzoic acid?
The CAS number of 3-Chloro-4-hydroxybenzoic acid is 3964-58-7.
What is the molecular formula of 3-Chloro-4-hydroxybenzoic acid?
The molecular formula of 3-Chloro-4-hydroxybenzoic acid is C7H5ClO3.
What is the molecular weight of 3-Chloro-4-hydroxybenzoic acid?
The molecular weight of 3-Chloro-4-hydroxybenzoic acid is 171.99 g/mol.
Where can I buy 3-Chloro-4-hydroxybenzoic acid?
You can request a quote for 3-Chloro-4-hydroxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-hydroxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.