![3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine structure](/static/products/900/900293-39-2.png)
3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine
TL;DR: 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine (CAS 900293-39-2) is a chemical compound with molecular formula C15H15N7O2S and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-nitrophenyl)methylsulfanyl]-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-4-amine
Also Known As: 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine, 3-[(4-nitrobenzyl)sulfanyl]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine, 3-[(4-nitrophenyl)methylsulfanyl]-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-4-amine, 5-[(4-nitrophenyl)methylthio]-3-(4,5,6-trihydrocyclopenta[2,1-d]pyrazol-3-yl)- 1,2,4-triazole-4-ylamine
| Molecular Formula | C15H15N7O2S |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 2.0712 |
| Topological Polar Surface Area | 128.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.1008 |
| Heavy Atoms | 25 |
| Complexity | 932.0105 |
Chemical Identifiers
| CAS Number | 900293-39-2 |
|---|---|
| SMILES | C1CC2=C(C1)NN=C2C3=NN=C(N3N)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine (CAS 900293-39-2), with molecular formula C15H15N7O2S and molecular weight 357.10 g/mol. IUPAC: 3-[(4-nitrophenyl)methylsulfanyl]-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,2,4-triazol-4-amine.
Chemical Property Profile of 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine
Property Insights of 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine
The XLogP value of 2.0712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine. The TPSA of 128.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine has 2 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-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine?
The CAS number of 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine is 900293-39-2.
What is the molecular formula of 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine is C15H15N7O2S.
What is the molecular weight of 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine is 357.10 g/mol.
Where can I buy 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-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-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-nitrobenzyl)thio)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.