3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine
TL;DR: 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine (CAS 613227-18-2) is a chemical compound with molecular formula C22H19N5O3S and molecular weight 433.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-[4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 3-(4-(4-ETHOXYPHENYL)-5-((4-NITROBENZYL)SULFANYL)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE, 3-(4-(4-ethoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 3-[4-(4-ethoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine, 3-{4-(4-ethoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine
| Molecular Formula | C22H19N5O3S |
|---|---|
| Molecular Weight | 433.12 g/mol |
| LogP | 4.9285 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.12085 |
| Heavy Atoms | 31 |
| Complexity | 1162.2429 |
Chemical Identifiers
| CAS Number | 613227-18-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4 |
Product Overview
3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine (CAS 613227-18-2), with molecular formula C22H19N5O3S and molecular weight 433.12 g/mol. IUPAC: 3-[4-(4-ethoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine
Property Insights of 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine
The XLogP value of 4.9285 indicates that 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine. Following Lipinski's Rule of Five, 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine 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 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine?
The CAS number of 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine is 613227-18-2.
What is the molecular formula of 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular formula of 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine is C22H19N5O3S.
What is the molecular weight of 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular weight of 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine is 433.12 g/mol.
Where can I buy 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine?
You can request a quote for 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(4-Ethoxyphenyl)-5-((4-nitrobenzyl)sulfanyl)-4H-1,2,4-triazol-3-YL)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.