4,5-Difluorophthalic Acid
TL;DR: 4,5-Difluorophthalic Acid (CAS 20486-27-5) is a chemical compound with molecular formula C8H4F2O4 and molecular weight 202.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-difluorophthalic acid
Also Known As: 4,5-difluorophthalic acid, 1,2-benzenedicarboxylic acid, 4,5-difluoro-, 4,5-difluoro phthalic acid, 4,5-Difluorophthalicacid, 4,5-Difluorobenzene-1,2-dicarboxylic acid
| Molecular Formula | C8H4F2O4 |
|---|---|
| Molecular Weight | 202.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.00777 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 20486-27-5 |
|---|---|
| SMILES | C1=C(C(=CC(=C1F)F)C(=O)O)C(=O)O |
| InChIKey | FFSBOABNRUJQFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Difluorophthalic Acid (CAS 20486-27-5), with molecular formula C8H4F2O4 and molecular weight 202.01 g/mol. IUPAC: 4,5-difluorophthalic acid.
Chemical Property Profile of 4,5-Difluorophthalic Acid
Property Insights of 4,5-Difluorophthalic Acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Difluorophthalic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Difluorophthalic Acid. Following Lipinski's Rule of Five, 4,5-Difluorophthalic Acid has 2 hydrogen bond donor(s) and 6 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 4,5-Difluorophthalic Acid?
The CAS number of 4,5-Difluorophthalic Acid is 20486-27-5.
What is the molecular formula of 4,5-Difluorophthalic Acid?
The molecular formula of 4,5-Difluorophthalic Acid is C8H4F2O4.
What is the molecular weight of 4,5-Difluorophthalic Acid?
The molecular weight of 4,5-Difluorophthalic Acid is 202.01 g/mol.
Where can I buy 4,5-Difluorophthalic Acid?
You can request a quote for 4,5-Difluorophthalic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Difluorophthalic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Difluorophthalic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.