3-(1H-1,2,4-Triazole-1-yl)-D-alanine
TL;DR: 3-(1H-1,2,4-Triazole-1-yl)-D-alanine (CAS 333354-47-5) is a chemical compound with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid
Also Known As: 3-(1H-1,2,4-Triazole-1-yl)-D-alanine, (2R)-2-amino-3-(1H-1,2,4-triazol-1-yl)propanoic acid, (2R)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid, J1.592.382B, 2-amino-3-(1,2,4-triazol-1-yl)propanoic Acid
| Molecular Formula | C5H8N4O2 |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | -1.31 |
| Topological Polar Surface Area | 94.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.06473 |
| Heavy Atoms | 11 |
| Complexity | 232.64027 |
Chemical Identifiers
| CAS Number | 333354-47-5 |
|---|---|
| SMILES | C1=NN(C=N1)C[C@H](C(=O)O)N |
Product Overview
3-(1H-1,2,4-Triazole-1-yl)-D-alanine (CAS 333354-47-5), with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol. IUPAC: (2R)-2-amino-3-(1,2,4-triazol-1-yl)propanoic acid.
Chemical Property Profile of 3-(1H-1,2,4-Triazole-1-yl)-D-alanine
Property Insights of 3-(1H-1,2,4-Triazole-1-yl)-D-alanine
The XLogP value of -1.31 indicates that 3-(1H-1,2,4-Triazole-1-yl)-D-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-1,2,4-Triazole-1-yl)-D-alanine. Following Lipinski's Rule of Five, 3-(1H-1,2,4-Triazole-1-yl)-D-alanine 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 3-(1H-1,2,4-Triazole-1-yl)-D-alanine?
The CAS number of 3-(1H-1,2,4-Triazole-1-yl)-D-alanine is 333354-47-5.
What is the molecular formula of 3-(1H-1,2,4-Triazole-1-yl)-D-alanine?
The molecular formula of 3-(1H-1,2,4-Triazole-1-yl)-D-alanine is C5H8N4O2.
What is the molecular weight of 3-(1H-1,2,4-Triazole-1-yl)-D-alanine?
The molecular weight of 3-(1H-1,2,4-Triazole-1-yl)-D-alanine is 156.06 g/mol.
Where can I buy 3-(1H-1,2,4-Triazole-1-yl)-D-alanine?
You can request a quote for 3-(1H-1,2,4-Triazole-1-yl)-D-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-1,2,4-Triazole-1-yl)-D-alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,2,4-Triazole-1-yl)-D-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.