3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine
TL;DR: 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine (CAS 95657-13-9) is a chemical compound with molecular formula C5H8N4O4 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(3,5-dioxo-1,2,4-triazolidin-1-yl)propanoic acid
Also Known As: 3,3,5-Dan-1,2,4-triazole, 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine, 2-amino-3-(3,5-dioxo-1,2,4-triazolidin-1-yl)propanoic acid, 3-(3-Hydroxy-5-oxo-2,5-dihydro-1H-1,2,4-triazol-1-yl)alanine, 1,2,4-Triazolidine-1-propanoic acid, alpha-amino-3,5-dioxo-, (+-)-
| Molecular Formula | C5H8N4O4 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.05455 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 95657-13-9 |
|---|---|
| SMILES | C(C(C(=O)O)N)N1C(=O)NC(=O)N1 |
| InChIKey | BQOGSUPGMSZTOL-UHFFFAOYSA-N |
Product Overview
3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine (CAS 95657-13-9), with molecular formula C5H8N4O4 and molecular weight 188.05 g/mol. IUPAC: 2-amino-3-(3,5-dioxo-1,2,4-triazolidin-1-yl)propanoic acid.
Chemical Property Profile of 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine
Property Insights of 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine
The XLogP value of -4.5 indicates that 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine. Following Lipinski's Rule of Five, 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)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 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine?
The CAS number of 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine is 95657-13-9.
What is the molecular formula of 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine?
The molecular formula of 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine is C5H8N4O4.
What is the molecular weight of 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine?
The molecular weight of 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine is 188.05 g/mol.
Where can I buy 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine?
You can request a quote for 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dioxo-1,2,4-triazolidin-1-yl)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.