methyl 2-(1H-1,2,4-triazol-1-yl)acetate
TL;DR: methyl 2-(1H-1,2,4-triazol-1-yl)acetate (CAS 106535-16-4) is a chemical compound with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,2,4-triazol-1-yl)acetate
Also Known As: methyl 2-(1H-1,2,4-triazol-1-yl)acetate, methyltriazolylacetate, methyl 2-(1,2,4-triazol-1-yl)acetate, N,N-Dimethylbutylamine, Bionet2_000380
| Molecular Formula | C5H7N3O2 |
|---|---|
| Molecular Weight | 141.05 g/mol |
| LogP | -0.5489 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.05383 |
| Heavy Atoms | 10 |
| Complexity | 206.67746 |
Chemical Identifiers
| CAS Number | 106535-16-4 |
|---|---|
| SMILES | COC(=O)CN1C=NC=N1 |
Product Overview
methyl 2-(1H-1,2,4-triazol-1-yl)acetate (CAS 106535-16-4), with molecular formula C5H7N3O2 and molecular weight 141.05 g/mol. IUPAC: methyl 2-(1,2,4-triazol-1-yl)acetate.
Chemical Property Profile of methyl 2-(1H-1,2,4-triazol-1-yl)acetate
Property Insights of methyl 2-(1H-1,2,4-triazol-1-yl)acetate
The XLogP value of -0.5489 indicates that methyl 2-(1H-1,2,4-triazol-1-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.01 Ų, methyl 2-(1H-1,2,4-triazol-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(1H-1,2,4-triazol-1-yl)acetate has 0 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 2-(1H-1,2,4-triazol-1-yl)acetate?
The CAS number of methyl 2-(1H-1,2,4-triazol-1-yl)acetate is 106535-16-4.
What is the molecular formula of methyl 2-(1H-1,2,4-triazol-1-yl)acetate?
The molecular formula of methyl 2-(1H-1,2,4-triazol-1-yl)acetate is C5H7N3O2.
What is the molecular weight of methyl 2-(1H-1,2,4-triazol-1-yl)acetate?
The molecular weight of methyl 2-(1H-1,2,4-triazol-1-yl)acetate is 141.05 g/mol.
Where can I buy methyl 2-(1H-1,2,4-triazol-1-yl)acetate?
You can request a quote for methyl 2-(1H-1,2,4-triazol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1H-1,2,4-triazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1H-1,2,4-triazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.