![N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine structure](/static/products/339/339013-62-6.png)
N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine
TL;DR: N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine (CAS 339013-62-6) is a chemical compound with molecular formula C11H13N3O6S and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-oxo-2-(4-sulfamoylanilino)acetyl]amino]propanoic acid
Also Known As: AE-848/32005060, N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine, N-[[4-(aminosulfonyl)anilino](oxo)acetyl]-beta-alanine, 3-[(4-Sulfamoyl-phenylaminooxalyl)-amino]-propionic acid, 3-[[(4-sulfamoylphenyl)carbamoylformyl]amino]propanoic Acid
| Molecular Formula | C11H13N3O6S |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | -1.1366 |
| Topological Polar Surface Area | 155.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.05252 |
| Heavy Atoms | 21 |
| Complexity | 653.0411 |
Chemical Identifiers
| CAS Number | 339013-62-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C(=O)NCCC(=O)O)S(=O)(=O)N |
Product Overview
N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine (CAS 339013-62-6), with molecular formula C11H13N3O6S and molecular weight 315.05 g/mol. IUPAC: 3-[[2-oxo-2-(4-sulfamoylanilino)acetyl]amino]propanoic acid.
Chemical Property Profile of N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine
Property Insights of N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine
The XLogP value of -1.1366 indicates that N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.66 Ų indicates high polarity, suggesting N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine has 4 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 N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine?
The CAS number of N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine is 339013-62-6.
What is the molecular formula of N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine?
The molecular formula of N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine is C11H13N3O6S.
What is the molecular weight of N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine?
The molecular weight of N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine is 315.05 g/mol.
Where can I buy N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine?
You can request a quote for N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-{oxo[(4-sulfamoylphenyl)amino]acetyl}-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.