Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate
TL;DR: Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate (CAS 73591-47-6) 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.
methyl 5-(2-amino-2-oxoethyl)-2H-triazole-4-carboxylate
Also Known As: methyl 5-(2-amino-2-oxoethyl)-2H-triazole-4-carboxylate, Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate, METHYL 5-(CARBAMOYLMETHYL)-2H-TRIAZOLE-4-CARBOXYLATE
| Molecular Formula | C6H8N4O3 |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.05965 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 73591-47-6 |
|---|---|
| SMILES | COC(=O)C1=NNN=C1CC(=O)N |
| InChIKey | ULFKDFFBPOOMML-UHFFFAOYSA-N |
Product Overview
Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate (CAS 73591-47-6), with molecular formula C6H8N4O3 and molecular weight 184.06 g/mol. IUPAC: methyl 5-(2-amino-2-oxoethyl)-2H-triazole-4-carboxylate.
Chemical Property Profile of Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate
Property Insights of Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate
The XLogP value of -1.4 indicates that Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate 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 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate?
The CAS number of Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate is 73591-47-6.
What is the molecular formula of Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate?
The molecular formula of Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate is C6H8N4O3.
What is the molecular weight of Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate?
The molecular weight of Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate is 184.06 g/mol.
Where can I buy Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate?
You can request a quote for Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-(2-amino-2-oxoethyl)-2H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.