![3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole structure](/static/products/824/824971-53-1.png)
3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
TL;DR: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole (CAS 824971-53-1) is a chemical compound with molecular formula C17H15ClN4O3S and molecular weight 390.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
Also Known As: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole, 3-[(2-chloro-6-nitrobenzyl)sulfanyl]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole, 3-[(2-chloro-6-nitrobenzyl)thio]-5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazole
| Molecular Formula | C17H15ClN4O3S |
|---|---|
| Molecular Weight | 390.06 g/mol |
| LogP | 4.3446 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.05533 |
| Heavy Atoms | 26 |
| Complexity | 943.6811 |
Chemical Identifiers
| CAS Number | 824971-53-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=C(C=CC=C2Cl)[N+](=O)[O-])C3=CC=C(C=C3)OC |
Product Overview
3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole (CAS 824971-53-1), with molecular formula C17H15ClN4O3S and molecular weight 390.06 g/mol. IUPAC: 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole.
Chemical Property Profile of 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
Property Insights of 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
The XLogP value of 4.3446 indicates that 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-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 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole. Following Lipinski's Rule of Five, 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-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 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole?
The CAS number of 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole is 824971-53-1.
What is the molecular formula of 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole?
The molecular formula of 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole is C17H15ClN4O3S.
What is the molecular weight of 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole?
The molecular weight of 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole is 390.06 g/mol.
Where can I buy 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole?
You can request a quote for 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-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-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-chloro-6-nitrophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.