![3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine structure](/static/products/3816/381682-23-1.webp)
3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
TL;DR: 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine (CAS 381682-23-1) is a chemical compound with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-[4-benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 3-{4-benzyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine, 3-(4-benzyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 3-(4-BENZYL-5-{[(4-NITROPHENYL)METHYL]SULFANYL}-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
| Molecular Formula | C21H17N5O2S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 4.5889 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.1103 |
| Heavy Atoms | 29 |
| Complexity | 1099.1467 |
Chemical Identifiers
| CAS Number | 381682-23-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CN=CC=C4 |
Product Overview
3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine (CAS 381682-23-1), with molecular formula C21H17N5O2S and molecular weight 403.11 g/mol. IUPAC: 3-[4-benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Property Insights of 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
The XLogP value of 4.5889 indicates that 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine. Following Lipinski's Rule of Five, 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine 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 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
The CAS number of 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine is 381682-23-1.
What is the molecular formula of 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine is C21H17N5O2S.
What is the molecular weight of 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine is 403.11 g/mol.
Where can I buy 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-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-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-Benzyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.