![4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline structure](/static/products/346/346458-86-4.png)
4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline
TL;DR: 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline (CAS 346458-86-4) is a chemical compound with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline
Also Known As: 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline, 4-(5-((2-methoxy-5-nitrobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)aniline, 4-(5-[(2-Methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl)aniline #, 4-[5-(2-Methoxy-5-nitro-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-phenylamine, 4-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline
| Molecular Formula | C17H17N5O3S |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.10522 |
| Heavy Atoms | 26 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 346458-86-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=C(C=C3)N |
| InChIKey | NTCJDVDCKQUTBB-UHFFFAOYSA-N |
Product Overview
4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline (CAS 346458-86-4), with molecular formula C17H17N5O3S and molecular weight 371.11 g/mol. IUPAC: 4-[5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline.
Chemical Property Profile of 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline
Property Insights of 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline. Following Lipinski's Rule of Five, 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline has 1 hydrogen bond donor(s) and 7 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-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline?
The CAS number of 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline is 346458-86-4.
What is the molecular formula of 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline?
The molecular formula of 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline is C17H17N5O3S.
What is the molecular weight of 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline?
The molecular weight of 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline is 371.11 g/mol.
Where can I buy 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline?
You can request a quote for 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-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 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-{5-[(2-methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.