4-Amino-alpha-oxobenzenepropanoic acid
TL;DR: 4-Amino-alpha-oxobenzenepropanoic acid (CAS 6956-88-3) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminophenyl)-2-oxopropanoic acid
Also Known As: 4-Aminophenylpyruvic acid, p-Aminophenylpyruvic acid, 3-(4-aminophenyl)-2-oxopropanoic acid, para-Aminophenylpyruvic acid, p-aminophenylpyruvate
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 6956-88-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)C(=O)O)N |
| InChIKey | HWDZIRSKXFAMFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-alpha-oxobenzenepropanoic acid (CAS 6956-88-3), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 3-(4-aminophenyl)-2-oxopropanoic acid.
Chemical Property Profile of 4-Amino-alpha-oxobenzenepropanoic acid
Property Insights of 4-Amino-alpha-oxobenzenepropanoic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-alpha-oxobenzenepropanoic acid. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-alpha-oxobenzenepropanoic acid. Following Lipinski's Rule of Five, 4-Amino-alpha-oxobenzenepropanoic 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-Amino-alpha-oxobenzenepropanoic acid?
The CAS number of 4-Amino-alpha-oxobenzenepropanoic acid is 6956-88-3.
What is the molecular formula of 4-Amino-alpha-oxobenzenepropanoic acid?
The molecular formula of 4-Amino-alpha-oxobenzenepropanoic acid is C9H9NO3.
What is the molecular weight of 4-Amino-alpha-oxobenzenepropanoic acid?
The molecular weight of 4-Amino-alpha-oxobenzenepropanoic acid is 179.06 g/mol.
Where can I buy 4-Amino-alpha-oxobenzenepropanoic acid?
You can request a quote for 4-Amino-alpha-oxobenzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-alpha-oxobenzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-alpha-oxobenzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.