2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid
TL;DR: 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid (CAS 408530-87-0) is a chemical compound with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid
Also Known As: NCIStruc1_000286, NCIStruc2_000178, NCI60_000413, 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid, 2-(hydroxyimino)-3-(1H-1,2,3-triazol-4-yl)propanoic acid
| Molecular Formula | C5H6N4O3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | -0.738 |
| Topological Polar Surface Area | 111.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.04399 |
| Heavy Atoms | 12 |
| Complexity | 291.6518 |
Chemical Identifiers
| CAS Number | 408530-87-0 |
|---|---|
| SMILES | C1=NNN=C1CC(=NO)C(=O)O |
Product Overview
2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid (CAS 408530-87-0), with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol. IUPAC: 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid.
Chemical Property Profile of 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid
Property Insights of 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid
The XLogP value of -0.738 indicates that 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid. Following Lipinski's Rule of Five, 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid has 3 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 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid?
The CAS number of 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid is 408530-87-0.
What is the molecular formula of 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid?
The molecular formula of 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid is C5H6N4O3.
What is the molecular weight of 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid?
The molecular weight of 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid is 170.04 g/mol.
Where can I buy 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid?
You can request a quote for 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxyimino-3-(2H-triazol-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.