![3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine structure](/static/products/879/879477-64-2.png)
3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine
TL;DR: 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine (CAS 879477-64-2) is a chemical compound with molecular formula C23H20N6S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine
Also Known As: 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine, 3-((naphthalen-1-ylmethyl)thio)-5-(3-(p-tolyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-4-amine, 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine, 3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-5-[(naphthalen-1-ylmethyl)sulfanyl]-4H-1,2,4-triazol-4-amine
| Molecular Formula | C23H20N6S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 4.80292 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.147 |
| Heavy Atoms | 30 |
| Complexity | 1314.0593 |
Chemical Identifiers
| CAS Number | 879477-64-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC4=CC=CC5=CC=CC=C54 |
Product Overview
3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine (CAS 879477-64-2), with molecular formula C23H20N6S and molecular weight 412.15 g/mol. IUPAC: 3-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine
Property Insights of 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine
The XLogP value of 4.80292 indicates that 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine. Following Lipinski's Rule of Five, 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine has 2 hydrogen bond donor(s) and 5 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-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine?
The CAS number of 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine is 879477-64-2.
What is the molecular formula of 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine?
The molecular formula of 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine is C23H20N6S.
What is the molecular weight of 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine?
The molecular weight of 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine is 412.15 g/mol.
Where can I buy 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine?
You can request a quote for 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-methylphenyl)pyrazol-5-yl]-5-(naphthylmethylthio)-1,2,4-triazole-4-yla mine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.