![3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine structure](/static/products/6805/680584-91-2.webp)
3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
TL;DR: 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 680584-91-2) is a chemical compound with molecular formula C16H15N5O3S and molecular weight 357.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Also Known As: 3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine, 3-(3-methoxyphenyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-4-amine, 3-(3-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, 5-(3-methoxyphenyl)-3-[(4-nitrophenyl)methylthio]-1,2,4-triazole-4-ylamine
| Molecular Formula | C16H15N5O3S |
|---|---|
| Molecular Weight | 357.09 g/mol |
| LogP | 2.868 |
| Topological Polar Surface Area | 109.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.08957 |
| Heavy Atoms | 25 |
| Complexity | 895.0408 |
Chemical Identifiers
| CAS Number | 680584-91-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine (CAS 680584-91-2), with molecular formula C16H15N5O3S and molecular weight 357.09 g/mol. IUPAC: 3-(3-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
Property Insights of 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
The XLogP value of 2.868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine. The TPSA of 109.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine 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 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The CAS number of 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 680584-91-2.
What is the molecular formula of 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular formula of 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is C16H15N5O3S.
What is the molecular weight of 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
The molecular weight of 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine is 357.09 g/mol.
Where can I buy 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
You can request a quote for 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.