Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate
TL;DR: Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate (CAS 4917-99-1) is a chemical compound with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-methyl-5-oxo-2H-triazole-4-carboxylate
Also Known As: methyl 1-methyl-5-oxo-2H-triazole-4-carboxylate, METHYL 5-HYDROXY-1-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
| Molecular Formula | C5H7N3O3 |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | -1.105 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.04874 |
| Heavy Atoms | 11 |
| Complexity | 323.9588 |
Chemical Identifiers
| CAS Number | 4917-99-1 |
|---|---|
| SMILES | CN1C(=O)C(=NN1)C(=O)OC |
Product Overview
Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate (CAS 4917-99-1), with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol. IUPAC: methyl 1-methyl-5-oxo-2H-triazole-4-carboxylate.
Chemical Property Profile of Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate
Property Insights of Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate
The XLogP value of -1.105 indicates that Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate has 1 hydrogen bond donor(s) and 4 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-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate?
The CAS number of Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate is 4917-99-1.
What is the molecular formula of Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate is C5H7N3O3.
What is the molecular weight of Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate is 157.05 g/mol.
Where can I buy Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for Methyl 5-hydroxy-1-methyl-1H-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-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-hydroxy-1-methyl-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.