![2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate structure](/static/products/4000/400080-66-2.webp)
2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate
TL;DR: 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate (CAS 400080-66-2) is a chemical compound with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate
Also Known As: 3G-401S, 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate, 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]nicotinate
| Molecular Formula | C13H16N4O3S |
|---|---|
| Molecular Weight | 308.09 g/mol |
| LogP | 1.85262 |
| Topological Polar Surface Area | 89.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.0943 |
| Heavy Atoms | 21 |
| Complexity | 585.35724 |
Chemical Identifiers
| CAS Number | 400080-66-2 |
|---|---|
| SMILES | CCOCCOC(=O)C1=CN=C(C=C1)SC2=NNC(=N2)C |
Product Overview
2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate (CAS 400080-66-2), with molecular formula C13H16N4O3S and molecular weight 308.09 g/mol. IUPAC: 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate.
Chemical Property Profile of 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate
Property Insights of 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate
The XLogP value of 1.85262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate. The TPSA of 89.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate?
The CAS number of 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate is 400080-66-2.
What is the molecular formula of 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate?
The molecular formula of 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate is C13H16N4O3S.
What is the molecular weight of 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate?
The molecular weight of 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate is 308.09 g/mol.
Where can I buy 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate?
You can request a quote for 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate 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-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-ethoxyethyl 6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.