3-Chloro-5-fluoro-4-methoxybenzoic acid
TL;DR: 3-Chloro-5-fluoro-4-methoxybenzoic acid (CAS 886497-22-9) is a chemical compound with molecular formula C8H6ClFO3 and molecular weight 204.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-fluoro-4-methoxybenzoic acid
Also Known As: 3-Chloro-5-fluoro-4-methoxybenzoic acid, 3-chloro-5-fluoro-4-methoxy-benzoic Acid, Benzoic acid,3-chloro-5-fluoro-4-methoxy-, 5-chloro-3-fluoro-4-methoxybenzoic acid, 3-CHLORO-5-FLUORO-4-METHOXYBENZOICACID
| Molecular Formula | C8H6ClFO3 |
|---|---|
| Molecular Weight | 204.00 g/mol |
| LogP | 2.1859 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.99895 |
| Heavy Atoms | 13 |
| Complexity | 328.23752 |
Chemical Identifiers
| CAS Number | 886497-22-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Cl)C(=O)O)F |
Product Overview
3-Chloro-5-fluoro-4-methoxybenzoic acid (CAS 886497-22-9), with molecular formula C8H6ClFO3 and molecular weight 204.00 g/mol. IUPAC: 3-chloro-5-fluoro-4-methoxybenzoic acid.
Chemical Property Profile of 3-Chloro-5-fluoro-4-methoxybenzoic acid
Property Insights of 3-Chloro-5-fluoro-4-methoxybenzoic acid
The XLogP value of 2.1859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-fluoro-4-methoxybenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-Chloro-5-fluoro-4-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-fluoro-4-methoxybenzoic acid has 1 hydrogen bond donor(s) and 2 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-5-fluoro-4-methoxybenzoic acid?
The CAS number of 3-Chloro-5-fluoro-4-methoxybenzoic acid is 886497-22-9.
What is the molecular formula of 3-Chloro-5-fluoro-4-methoxybenzoic acid?
The molecular formula of 3-Chloro-5-fluoro-4-methoxybenzoic acid is C8H6ClFO3.
What is the molecular weight of 3-Chloro-5-fluoro-4-methoxybenzoic acid?
The molecular weight of 3-Chloro-5-fluoro-4-methoxybenzoic acid is 204.00 g/mol.
Where can I buy 3-Chloro-5-fluoro-4-methoxybenzoic acid?
You can request a quote for 3-Chloro-5-fluoro-4-methoxybenzoic 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-5-fluoro-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-fluoro-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.