4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole
TL;DR: 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole (CAS 714238-63-8) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole, 3-(4-methylphenoxymethyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-[(4-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole, 4-methyl-1-({5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl(1,2,4-triazol-3-yl)}m ethoxy)benzene
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 4.55202 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 952.5871 |
Chemical Identifiers
| CAS Number | 714238-63-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole (CAS 714238-63-8), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: 3-[(4-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole
Property Insights of 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole
The XLogP value of 4.55202 indicates that 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole 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 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
The CAS number of 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is 714238-63-8.
What is the molecular formula of 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
The molecular formula of 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is C20H20N4O3S.
What is the molecular weight of 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
The molecular weight of 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole is 396.13 g/mol.
Where can I buy 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
You can request a quote for 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-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 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-allyl-3-((4-nitrobenzyl)thio)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.