4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
TL;DR: 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole (CAS 496777-07-2) is a chemical compound with molecular formula C19H20N4O5S and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
Also Known As: F1346-0011, 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole, 4-methyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole, 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole, 1,2,3-trimethoxy-5-{4-methyl-5-[(4-nitrophenyl)methylthio](1,2,4-triazol-3-yl) }benzene
| Molecular Formula | C19H20N4O5S |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 3.7084 |
| Topological Polar Surface Area | 101.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.11545 |
| Heavy Atoms | 29 |
| Complexity | 994.93414 |
Chemical Identifiers
| CAS Number | 496777-07-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole (CAS 496777-07-2), with molecular formula C19H20N4O5S and molecular weight 416.12 g/mol. IUPAC: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
Property Insights of 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
The XLogP value of 3.7084 indicates that 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 8 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-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole?
The CAS number of 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole is 496777-07-2.
What is the molecular formula of 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole?
The molecular formula of 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole is C19H20N4O5S.
What is the molecular weight of 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole?
The molecular weight of 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole is 416.12 g/mol.
Where can I buy 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole?
You can request a quote for 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-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-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-((4-nitrobenzyl)thio)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.