4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid
TL;DR: 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid (CAS 3516-90-3) is a chemical compound with molecular formula C9H4F4O4 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(carboxymethyl)-2,3,5,6-tetrafluorobenzoic acid
Also Known As: tetrafluorohomoterephthalic acid, 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid, 4-(carboxymethyl)-2,3,5,6-tetrafluorobenzoic acid, 4-(carboxymethyl)-2,3,5,6-tetrafluoro-benzoic Acid, RefChem:291231
| Molecular Formula | C9H4F4O4 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.00458 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 3516-90-3 |
|---|---|
| SMILES | C(C1=C(C(=C(C(=C1F)F)C(=O)O)F)F)C(=O)O |
| InChIKey | NYOXYRPDRWRVTQ-UHFFFAOYSA-N |
Product Overview
4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid (CAS 3516-90-3), with molecular formula C9H4F4O4 and molecular weight 252.00 g/mol. IUPAC: 4-(carboxymethyl)-2,3,5,6-tetrafluorobenzoic acid.
Chemical Property Profile of 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid
Property Insights of 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid. Following Lipinski's Rule of Five, 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid has 2 hydrogen bond donor(s) and 8 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-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid?
The CAS number of 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid is 3516-90-3.
What is the molecular formula of 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid?
The molecular formula of 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid is C9H4F4O4.
What is the molecular weight of 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid?
The molecular weight of 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid is 252.00 g/mol.
Where can I buy 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid?
You can request a quote for 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxy-2,3,5,6-tetrafluorobenzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.