ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate
TL;DR: ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate (CAS 13581-64-1) 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.
ethyl 2-oxo-2-(1H-1,2,4-triazol-5-ylamino)acetate
Also Known As: 3-Aethoxalylamino-s-triazol, ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate, ethyl 2-oxo-2-(1H-1,2,4-triazol-5-ylamino)acetate, Ethyl 2-((1H-1,2,4-triazol-5-yl)amino)-2-oxoacetate, Ethyl oxo[(1H-1,2,4-triazol-5-yl)amino]acetate
| Molecular Formula | C6H8N4O3 |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.05965 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 13581-64-1 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=NC=NN1 |
| InChIKey | QWRCBKZTRVMCCC-UHFFFAOYSA-N |
Product Overview
ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate (CAS 13581-64-1), with molecular formula C6H8N4O3 and molecular weight 184.06 g/mol. IUPAC: ethyl 2-oxo-2-(1H-1,2,4-triazol-5-ylamino)acetate.
Chemical Property Profile of ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate
Property Insights of ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate. Following Lipinski's Rule of Five, ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate has 2 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 ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate?
The CAS number of ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate is 13581-64-1.
What is the molecular formula of ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate?
The molecular formula of ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate is C6H8N4O3.
What is the molecular weight of ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate?
The molecular weight of ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate is 184.06 g/mol.
Where can I buy ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate?
You can request a quote for ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2H-1,2,4-triazol-3-ylcarbamoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.