3-Chloro-4,6-dimethoxysalicylic acid
TL;DR: 3-Chloro-4,6-dimethoxysalicylic acid (CAS 3187-20-0) is a chemical compound with molecular formula C9H9ClO5 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-hydroxy-4,6-dimethoxybenzoic acid
Also Known As: 3-Chloro-4,6-dimethoxysalicylic acid, 3-Chloro-2-hydroxy-4,6-dimethoxybenzoic acid, J1.397.480B, 3-Chloro-2-hydroxy-4,6-dimethoxybenzoic acid #
| Molecular Formula | C9H9ClO5 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.01385 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 3187-20-0 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1C(=O)O)O)Cl)OC |
| InChIKey | CWLIPLRMGNTRBU-UHFFFAOYSA-N |
Product Overview
3-Chloro-4,6-dimethoxysalicylic acid (CAS 3187-20-0), with molecular formula C9H9ClO5 and molecular weight 232.01 g/mol. IUPAC: 3-chloro-2-hydroxy-4,6-dimethoxybenzoic acid.
Chemical Property Profile of 3-Chloro-4,6-dimethoxysalicylic acid
Property Insights of 3-Chloro-4,6-dimethoxysalicylic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4,6-dimethoxysalicylic acid. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4,6-dimethoxysalicylic acid. Following Lipinski's Rule of Five, 3-Chloro-4,6-dimethoxysalicylic acid has 2 hydrogen bond donor(s) and 5 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-4,6-dimethoxysalicylic acid?
The CAS number of 3-Chloro-4,6-dimethoxysalicylic acid is 3187-20-0.
What is the molecular formula of 3-Chloro-4,6-dimethoxysalicylic acid?
The molecular formula of 3-Chloro-4,6-dimethoxysalicylic acid is C9H9ClO5.
What is the molecular weight of 3-Chloro-4,6-dimethoxysalicylic acid?
The molecular weight of 3-Chloro-4,6-dimethoxysalicylic acid is 232.01 g/mol.
Where can I buy 3-Chloro-4,6-dimethoxysalicylic acid?
You can request a quote for 3-Chloro-4,6-dimethoxysalicylic 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-4,6-dimethoxysalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4,6-dimethoxysalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.