![3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole structure](/static/products/4967/496776-83-1.webp)
3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole (CAS 496776-83-1) is a chemical compound with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
Also Known As: 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole, F1346-0030, 3-(2H-1,3-benzodioxol-5-yl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole, 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole, 3-(benzo[d][1,3]dioxol-5-yl)-5-((4-nitrobenzyl)thio)-4-phenyl-4H-1,2,4-triazole
| Molecular Formula | C22H16N4O4S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 4.8635 |
| Topological Polar Surface Area | 92.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.08923 |
| Heavy Atoms | 31 |
| Complexity | 1242.3679 |
Chemical Identifiers
| CAS Number | 496776-83-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole (CAS 496776-83-1), with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
The XLogP value of 4.8635 indicates that 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole 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-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole is 496776-83-1.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole is C22H16N4O4S.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole is 432.09 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.