2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate
TL;DR: 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate (CAS 861211-83-8) is a chemical compound with molecular formula C13H16N4O3 and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxylate
Also Known As: 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate, 2-ethoxyethyl 6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxylate, 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)pyridine-3-carboxylate, 6-(3-methyl-1,2,4-triazol-1-yl)nicotinic acid 2-ethoxyethyl ester, 2-ethoxyethyl6-(3-methyl-1H-1,2,4-triazol-1-yl)pyridine-3-carboxylate
| Molecular Formula | C13H16N4O3 |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 1.16402 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.12225 |
| Heavy Atoms | 20 |
| Complexity | 565.2502 |
Chemical Identifiers
| CAS Number | 861211-83-8 |
|---|---|
| SMILES | CCOCCOC(=O)C1=CN=C(C=C1)N2C=NC(=N2)C |
Product Overview
2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate (CAS 861211-83-8), with molecular formula C13H16N4O3 and molecular weight 276.12 g/mol. IUPAC: 2-ethoxyethyl 6-(3-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxylate.
Chemical Property Profile of 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate
Property Insights of 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate
The XLogP value of 1.16402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate. Following Lipinski's Rule of Five, 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate has 0 hydrogen bond donor(s) and 6 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 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
The CAS number of 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate is 861211-83-8.
What is the molecular formula of 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
The molecular formula of 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate is C13H16N4O3.
What is the molecular weight of 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
The molecular weight of 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate is 276.12 g/mol.
Where can I buy 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
You can request a quote for 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-ethoxyethyl 6-(3-methyl-1H-1,2,4-triazol-1-yl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.