N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine
TL;DR: N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine (CAS 387363-25-9) is a chemical compound with molecular formula C6H8N4O3 and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
Also Known As: N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine, AN-465/25105008, 3-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid, 3-(1H-1,2,4-Triazole-3-carboxamido)propanoic acid, 3-(1H-1,2,4-triazol-3-ylcarbonylamino)propanoic acid
| Molecular Formula | C6H8N4O3 |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | -0.9908 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.05965 |
| Heavy Atoms | 13 |
| Complexity | 294.83783 |
Chemical Identifiers
| CAS Number | 387363-25-9 |
|---|---|
| SMILES | C1=NNC(=N1)C(=O)NCCC(=O)O |
Product Overview
N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine (CAS 387363-25-9), with molecular formula C6H8N4O3 and molecular weight 184.06 g/mol. IUPAC: 3-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid.
Chemical Property Profile of N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine
Property Insights of N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine
The XLogP value of -0.9908 indicates that N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine. Following Lipinski's Rule of Five, N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine 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 N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine?
The CAS number of N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine is 387363-25-9.
What is the molecular formula of N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine?
The molecular formula of N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine is C6H8N4O3.
What is the molecular weight of N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine?
The molecular weight of N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine is 184.06 g/mol.
Where can I buy N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine?
You can request a quote for N-(1H-1,2,4-triazol-3-ylcarbonyl)-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-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-1,2,4-triazol-3-ylcarbonyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.