2-Chloro-4,5-difluorobenzoic acid
TL;DR: 2-Chloro-4,5-difluorobenzoic acid (CAS 776-40-9) is a chemical compound with molecular formula C7H3ClF2O2 and molecular weight 191.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4,5-difluorobenzoic acid
Also Known As: 2-Chloro-4,5-difluorobenzoic acid, CDFBA, 2-chloro-4,5-difluoro-benzoic acid, 2-Chloro-4,5-difluorobenzoicacid, RARECHEM AL BO 1000
| Molecular Formula | C7H3ClF2O2 |
|---|---|
| Molecular Weight | 191.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.97896 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 776-40-9 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)F)Cl)C(=O)O |
| InChIKey | CGFMLBSNHNWJAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4,5-difluorobenzoic acid (CAS 776-40-9), with molecular formula C7H3ClF2O2 and molecular weight 191.98 g/mol. IUPAC: 2-chloro-4,5-difluorobenzoic acid.
Chemical Property Profile of 2-Chloro-4,5-difluorobenzoic acid
Property Insights of 2-Chloro-4,5-difluorobenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4,5-difluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Chloro-4,5-difluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4,5-difluorobenzoic acid has 1 hydrogen bond donor(s) and 4 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-4,5-difluorobenzoic acid?
The CAS number of 2-Chloro-4,5-difluorobenzoic acid is 776-40-9.
What is the molecular formula of 2-Chloro-4,5-difluorobenzoic acid?
The molecular formula of 2-Chloro-4,5-difluorobenzoic acid is C7H3ClF2O2.
What is the molecular weight of 2-Chloro-4,5-difluorobenzoic acid?
The molecular weight of 2-Chloro-4,5-difluorobenzoic acid is 191.98 g/mol.
Where can I buy 2-Chloro-4,5-difluorobenzoic acid?
You can request a quote for 2-Chloro-4,5-difluorobenzoic 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-4,5-difluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4,5-difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.