2-(Carboxymethyl)-4-fluorobenzoic acid
TL;DR: 2-(Carboxymethyl)-4-fluorobenzoic acid (CAS 500779-09-9) is a chemical compound with molecular formula C9H7FO4 and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-4-fluorobenzoic acid
Also Known As: 2-(carboxymethyl)-4-fluorobenzoic acid, 2-Carboxymethyl-4-fluoro-benzoic acid, 2-(carboxymethyl)-4-fluoro-benzoic acid, 2-(carboxymethyl)-4-fluorobenzoicacid, NCI60_003791
| Molecular Formula | C9H7FO4 |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.03284 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 500779-09-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)CC(=O)O)C(=O)O |
| InChIKey | NJRYCMRYNLWLED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Carboxymethyl)-4-fluorobenzoic acid (CAS 500779-09-9), with molecular formula C9H7FO4 and molecular weight 198.03 g/mol. IUPAC: 2-(carboxymethyl)-4-fluorobenzoic acid.
Chemical Property Profile of 2-(Carboxymethyl)-4-fluorobenzoic acid
Property Insights of 2-(Carboxymethyl)-4-fluorobenzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Carboxymethyl)-4-fluorobenzoic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Carboxymethyl)-4-fluorobenzoic acid. Following Lipinski's Rule of Five, 2-(Carboxymethyl)-4-fluorobenzoic acid has 2 hydrogen bond donor(s) and 5 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-(Carboxymethyl)-4-fluorobenzoic acid?
The CAS number of 2-(Carboxymethyl)-4-fluorobenzoic acid is 500779-09-9.
What is the molecular formula of 2-(Carboxymethyl)-4-fluorobenzoic acid?
The molecular formula of 2-(Carboxymethyl)-4-fluorobenzoic acid is C9H7FO4.
What is the molecular weight of 2-(Carboxymethyl)-4-fluorobenzoic acid?
The molecular weight of 2-(Carboxymethyl)-4-fluorobenzoic acid is 198.03 g/mol.
Where can I buy 2-(Carboxymethyl)-4-fluorobenzoic acid?
You can request a quote for 2-(Carboxymethyl)-4-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Carboxymethyl)-4-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Carboxymethyl)-4-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.