4-Fluorohippuric acid
TL;DR: 4-Fluorohippuric acid (CAS 36904-07-1) is a chemical compound with molecular formula C9H8FNO3 and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorobenzoyl)amino]acetic acid
Also Known As: p-Fluorohippuric acid, 4-fluorohippuric acid, n-(4-fluorobenzoyl)glycine, (4-Fluoro-benzoylamino)-acetic acid, para-FHA
| Molecular Formula | C9H8FNO3 |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.04883 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 36904-07-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCC(=O)O)F |
| InChIKey | NVWXSGQHHUSSOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorohippuric acid (CAS 36904-07-1), with molecular formula C9H8FNO3 and molecular weight 197.05 g/mol. IUPAC: 2-[(4-fluorobenzoyl)amino]acetic acid.
Chemical Property Profile of 4-Fluorohippuric acid
Property Insights of 4-Fluorohippuric acid
The XLogP value of -0.1 indicates that 4-Fluorohippuric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluorohippuric acid. Following Lipinski's Rule of Five, 4-Fluorohippuric acid has 2 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 4-Fluorohippuric acid?
The CAS number of 4-Fluorohippuric acid is 36904-07-1.
What is the molecular formula of 4-Fluorohippuric acid?
The molecular formula of 4-Fluorohippuric acid is C9H8FNO3.
What is the molecular weight of 4-Fluorohippuric acid?
The molecular weight of 4-Fluorohippuric acid is 197.05 g/mol.
Where can I buy 4-Fluorohippuric acid?
You can request a quote for 4-Fluorohippuric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorohippuric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorohippuric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.