methyl N-(2H-triazole-4-carbonyl)carbamate
TL;DR: methyl N-(2H-triazole-4-carbonyl)carbamate (CAS 57362-83-1) 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.
methyl N-(2H-triazole-4-carbonyl)carbamate
Also Known As: methyl N-(2H-triazole-4-carbonyl)carbamate, Methyl (2H-1,2,3-triazole-4-carbonyl)carbamate, (1H-[1,2,3]triazole-4-carbonyl)-carbamic acid methyl ester
| Molecular Formula | C5H6N4O3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04399 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 57362-83-1 |
|---|---|
| SMILES | COC(=O)NC(=O)C1=NNN=C1 |
| InChIKey | WTPSCDLZWHSZFH-UHFFFAOYSA-N |
Product Overview
methyl N-(2H-triazole-4-carbonyl)carbamate (CAS 57362-83-1), with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol. IUPAC: methyl N-(2H-triazole-4-carbonyl)carbamate.
Chemical Property Profile of methyl N-(2H-triazole-4-carbonyl)carbamate
Property Insights of methyl N-(2H-triazole-4-carbonyl)carbamate
The XLogP value of -0.6 indicates that methyl N-(2H-triazole-4-carbonyl)carbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-(2H-triazole-4-carbonyl)carbamate. Following Lipinski's Rule of Five, methyl N-(2H-triazole-4-carbonyl)carbamate 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 methyl N-(2H-triazole-4-carbonyl)carbamate?
The CAS number of methyl N-(2H-triazole-4-carbonyl)carbamate is 57362-83-1.
What is the molecular formula of methyl N-(2H-triazole-4-carbonyl)carbamate?
The molecular formula of methyl N-(2H-triazole-4-carbonyl)carbamate is C5H6N4O3.
What is the molecular weight of methyl N-(2H-triazole-4-carbonyl)carbamate?
The molecular weight of methyl N-(2H-triazole-4-carbonyl)carbamate is 170.04 g/mol.
Where can I buy methyl N-(2H-triazole-4-carbonyl)carbamate?
You can request a quote for methyl N-(2H-triazole-4-carbonyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(2H-triazole-4-carbonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(2H-triazole-4-carbonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.