3,4-Difluorobenzoic acid
TL;DR: 3,4-Difluorobenzoic acid (CAS 455-86-7) is a chemical compound with molecular formula C7H4F2O2 and molecular weight 158.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-difluorobenzoic acid
Also Known As: 3,4-Difluorobenzoic acid, Benzoic acid, 3,4-difluoro-, null, qvr cf df, 3,4-Difluorobenzoicacid
| Molecular Formula | C7H4F2O2 |
|---|---|
| Molecular Weight | 158.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.01793 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 455-86-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)F)F |
| InChIKey | FPENCTDAQQQKNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Difluorobenzoic acid (CAS 455-86-7), with molecular formula C7H4F2O2 and molecular weight 158.02 g/mol. IUPAC: 3,4-difluorobenzoic acid.
Chemical Property Profile of 3,4-Difluorobenzoic acid
Property Insights of 3,4-Difluorobenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Difluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,4-Difluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-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 3,4-Difluorobenzoic acid?
The CAS number of 3,4-Difluorobenzoic acid is 455-86-7.
What is the molecular formula of 3,4-Difluorobenzoic acid?
The molecular formula of 3,4-Difluorobenzoic acid is C7H4F2O2.
What is the molecular weight of 3,4-Difluorobenzoic acid?
The molecular weight of 3,4-Difluorobenzoic acid is 158.02 g/mol.
Where can I buy 3,4-Difluorobenzoic acid?
You can request a quote for 3,4-Difluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Difluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.