![4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole structure](/static/products/6932/693233-42-0.webp)
4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
TL;DR: 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole (CAS 693233-42-0) is a chemical compound with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole, 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole, 4-METHYL-3-(2-METHYLPHENOXYMETHYL)-5-{[(4-NITROPHENYL)METHYL]SULFANYL}-1,2,4-TRIAZOLE
| Molecular Formula | C18H18N4O3S |
|---|---|
| Molecular Weight | 370.11 g/mol |
| LogP | 3.90302 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.10995 |
| Heavy Atoms | 26 |
| Complexity | 909.0546 |
Chemical Identifiers
| CAS Number | 693233-42-0 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole (CAS 693233-42-0), with molecular formula C18H18N4O3S and molecular weight 370.11 g/mol. IUPAC: 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Property Insights of 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
The XLogP value of 3.90302 indicates that 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-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-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-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-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole?
The CAS number of 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole is 693233-42-0.
What is the molecular formula of 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole?
The molecular formula of 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole is C18H18N4O3S.
What is the molecular weight of 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole?
The molecular weight of 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole is 370.11 g/mol.
Where can I buy 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole?
You can request a quote for 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-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-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-3-[(2-methylphenoxy)methyl]-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.