2-Chloro-3,4-dimethoxybenzoic acid
TL;DR: 2-Chloro-3,4-dimethoxybenzoic acid (CAS 52009-53-7) is a chemical compound with molecular formula C9H9ClO4 and molecular weight 216.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3,4-dimethoxybenzoic acid
Also Known As: 2-Chloro-3,4-dimethoxybenzoic acid, Maybridge1_001936, 2-Chloro-3,4,-dimethoxybenzoic acid, 2-chloro-3,4-dimethoxy-benzoic acid, Benzoic acid, 2-chloro-3,4-dimethoxy-
| Molecular Formula | C9H9ClO4 |
|---|---|
| Molecular Weight | 216.02 g/mol |
| LogP | 2.0554 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.01894 |
| Heavy Atoms | 14 |
| Complexity | 362.07474 |
Chemical Identifiers
| CAS Number | 52009-53-7 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C(=O)O)Cl)OC |
Product Overview
2-Chloro-3,4-dimethoxybenzoic acid (CAS 52009-53-7), with molecular formula C9H9ClO4 and molecular weight 216.02 g/mol. IUPAC: 2-chloro-3,4-dimethoxybenzoic acid.
Chemical Property Profile of 2-Chloro-3,4-dimethoxybenzoic acid
Property Insights of 2-Chloro-3,4-dimethoxybenzoic acid
The XLogP value of 2.0554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3,4-dimethoxybenzoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 2-Chloro-3,4-dimethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3,4-dimethoxybenzoic acid 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 2-Chloro-3,4-dimethoxybenzoic acid?
The CAS number of 2-Chloro-3,4-dimethoxybenzoic acid is 52009-53-7.
What is the molecular formula of 2-Chloro-3,4-dimethoxybenzoic acid?
The molecular formula of 2-Chloro-3,4-dimethoxybenzoic acid is C9H9ClO4.
What is the molecular weight of 2-Chloro-3,4-dimethoxybenzoic acid?
The molecular weight of 2-Chloro-3,4-dimethoxybenzoic acid is 216.02 g/mol.
Where can I buy 2-Chloro-3,4-dimethoxybenzoic acid?
You can request a quote for 2-Chloro-3,4-dimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3,4-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3,4-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.