![3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole structure](/static/products/956/956754-00-0.png)
3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole
TL;DR: 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole (CAS 956754-00-0) is a chemical compound with molecular formula C16H17F3N6S2 and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-cyclopentylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
Also Known As: 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole, 9X-0806, 4-(5-cyclopentylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole, 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl}-1,2,4-triazole
| Molecular Formula | C16H17F3N6S2 |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 4.48622 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.09082 |
| Heavy Atoms | 27 |
| Complexity | 951.9129 |
Chemical Identifiers
| CAS Number | 956754-00-0 |
|---|---|
| SMILES | CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NN=C(N3C)SC4CCCC4 |
Product Overview
3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole (CAS 956754-00-0), with molecular formula C16H17F3N6S2 and molecular weight 414.09 g/mol. IUPAC: 4-(5-cyclopentylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole.
Chemical Property Profile of 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole
Property Insights of 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole
The XLogP value of 4.48622 indicates that 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole has 0 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-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole?
The CAS number of 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole is 956754-00-0.
What is the molecular formula of 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole?
The molecular formula of 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole is C16H17F3N6S2.
What is the molecular weight of 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole?
The molecular weight of 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole is 414.09 g/mol.
Where can I buy 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole?
You can request a quote for 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(cyclopentylsulfanyl)-4-methyl-5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.