Methyl 3-chlorosalicylate
TL;DR: Methyl 3-chlorosalicylate (CAS 52159-67-8) 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-2-hydroxybenzoate
Also Known As: methyl 3-chloro-2-hydroxybenzoate, Methyl 3-chlorosalicylate, Methyl-3-Chloro-2-hydroxybenzoate, methyl3-chlorosalicylate, methyl-3-chloro-salicylate
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 3.0 |
| 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 | 52159-67-8 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC=C1)Cl)O |
| InChIKey | MVXSDDGVZSEOIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-chlorosalicylate (CAS 52159-67-8), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: methyl 3-chloro-2-hydroxybenzoate.
Chemical Property Profile of Methyl 3-chlorosalicylate
Property Insights of Methyl 3-chlorosalicylate
The XLogP value of 3.0 indicates that Methyl 3-chlorosalicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-chlorosalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chlorosalicylate 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-chlorosalicylate?
The CAS number of Methyl 3-chlorosalicylate is 52159-67-8.
What is the molecular formula of Methyl 3-chlorosalicylate?
The molecular formula of Methyl 3-chlorosalicylate is C8H7ClO3.
What is the molecular weight of Methyl 3-chlorosalicylate?
The molecular weight of Methyl 3-chlorosalicylate is 186.01 g/mol.
Where can I buy Methyl 3-chlorosalicylate?
You can request a quote for Methyl 3-chlorosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chlorosalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chlorosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.