![3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline structure](/static/products/4332/433251-49-1.webp)
3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline
TL;DR: 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline (CAS 433251-49-1) is a chemical compound with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline
Also Known As: AN-648/15240094, AB00122392-01, 3-(3-aminophenyl)-5-({4-nitrobenzyl}sulfanyl)-4-methyl-4H-1,2,4-triazole, 3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline, 3-(4-methyl-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)aniline
| Molecular Formula | C16H15N5O2S |
|---|---|
| Molecular Weight | 341.09 g/mol |
| LogP | 3.2648 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.09464 |
| Heavy Atoms | 24 |
| Complexity | 876.4292 |
Chemical Identifiers
| CAS Number | 433251-49-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)N |
Product Overview
3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline (CAS 433251-49-1), with molecular formula C16H15N5O2S and molecular weight 341.09 g/mol. IUPAC: 3-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline.
Chemical Property Profile of 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline
Property Insights of 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline
The XLogP value of 3.2648 indicates that 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline. Following Lipinski's Rule of Five, 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline has 1 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-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline?
The CAS number of 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline is 433251-49-1.
What is the molecular formula of 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline?
The molecular formula of 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline is C16H15N5O2S.
What is the molecular weight of 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline?
The molecular weight of 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline is 341.09 g/mol.
Where can I buy 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline?
You can request a quote for 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-Methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.