4-Acetylaminohippuric acid
TL;DR: 4-Acetylaminohippuric acid (CAS 22776-60-9) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-acetamidobenzoyl)amino]acetic acid
Also Known As: 4-Acetylaminohippuric acid, PAAHA, acetyl-PAH, p-Acetylaminohippuric acid, para-Acetamidohippuric acid
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 22776-60-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)O |
| InChIKey | VLSCGEIQKZBMEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetylaminohippuric acid (CAS 22776-60-9), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 2-[(4-acetamidobenzoyl)amino]acetic acid.
Chemical Property Profile of 4-Acetylaminohippuric acid
Property Insights of 4-Acetylaminohippuric acid
The XLogP value of -1.0 indicates that 4-Acetylaminohippuric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylaminohippuric acid. Following Lipinski's Rule of Five, 4-Acetylaminohippuric acid has 3 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-Acetylaminohippuric acid?
The CAS number of 4-Acetylaminohippuric acid is 22776-60-9.
What is the molecular formula of 4-Acetylaminohippuric acid?
The molecular formula of 4-Acetylaminohippuric acid is C11H12N2O4.
What is the molecular weight of 4-Acetylaminohippuric acid?
The molecular weight of 4-Acetylaminohippuric acid is 236.08 g/mol.
Where can I buy 4-Acetylaminohippuric acid?
You can request a quote for 4-Acetylaminohippuric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylaminohippuric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylaminohippuric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.