Methyl 3-chloro-4-hydroxybenzoate
TL;DR: Methyl 3-chloro-4-hydroxybenzoate (CAS 3964-57-6) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-4-hydroxybenzoate
Also Known As: Methyl 3-chloro-4-hydroxybenzoate, 3-Chloro-4-hydroxybenzoic acid methyl ester, Methyl 3-chloro-4-hydroxy benzoate, methyl 3-chloro-4-hydroxy-benzoate, Benzoic acid, 3-chloro-4-hydroxy-, methyl ester
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 3964-57-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)O)Cl |
| InChIKey | ZSBIMTDWIGWJPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-chloro-4-hydroxybenzoate (CAS 3964-57-6), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: methyl 3-chloro-4-hydroxybenzoate.
Chemical Property Profile of Methyl 3-chloro-4-hydroxybenzoate
Property Insights of Methyl 3-chloro-4-hydroxybenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloro-4-hydroxybenzoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-chloro-4-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-4-hydroxybenzoate has 1 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 Methyl 3-chloro-4-hydroxybenzoate?
The CAS number of Methyl 3-chloro-4-hydroxybenzoate is 3964-57-6.
What is the molecular formula of Methyl 3-chloro-4-hydroxybenzoate?
The molecular formula of Methyl 3-chloro-4-hydroxybenzoate is C8H7ClO3.
What is the molecular weight of Methyl 3-chloro-4-hydroxybenzoate?
The molecular weight of Methyl 3-chloro-4-hydroxybenzoate is 186.01 g/mol.
Where can I buy Methyl 3-chloro-4-hydroxybenzoate?
You can request a quote for Methyl 3-chloro-4-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-4-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-4-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.