![2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine structure](/static/products/6723/672329-86-1.webp)
2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine
TL;DR: 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine (CAS 672329-86-1) is a chemical compound with molecular formula C14H12N6O2S and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine
Also Known As: BAS 07772546, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine, 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-5-nitropyridine, 2-(4-Ethyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-5-nitro-pyridine, 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-nitropyridine
| Molecular Formula | C14H12N6O2S |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 2.8144 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.07425 |
| Heavy Atoms | 23 |
| Complexity | 819.0437 |
Chemical Identifiers
| CAS Number | 672329-86-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3 |
Product Overview
2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine (CAS 672329-86-1), with molecular formula C14H12N6O2S and molecular weight 328.07 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine.
Chemical Property Profile of 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine
Property Insights of 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine
The XLogP value of 2.8144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine. Following Lipinski's Rule of Five, 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine has 0 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-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine?
The CAS number of 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine is 672329-86-1.
What is the molecular formula of 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine?
The molecular formula of 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine is C14H12N6O2S.
What is the molecular weight of 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine?
The molecular weight of 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine is 328.07 g/mol.
Where can I buy 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine?
You can request a quote for 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.