![N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide structure](/static/products/7168/7168-10-7.webp)
N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
TL;DR: N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide (CAS 7168-10-7) is a chemical compound with molecular formula C13H15F5N6OS and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
Also Known As: N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide, N-[3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
| Molecular Formula | C13H15F5N6OS |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.01182 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.09482 |
| Heavy Atoms | 26 |
| Complexity | 771.653 |
Chemical Identifiers
| CAS Number | 7168-10-7 |
|---|---|
| SMILES | CCSC1=NN=C(N1NC(=O)CCN2C(=CC(=N2)C(F)(F)F)C)C(F)F |
Product Overview
N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide (CAS 7168-10-7), with molecular formula C13H15F5N6OS and molecular weight 398.09 g/mol. IUPAC: N-[3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
Chemical Property Profile of N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
Property Insights of N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
The XLogP value of 3.01182 indicates that N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide. Following Lipinski's Rule of Five, N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide has 1 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 N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide?
The CAS number of N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide is 7168-10-7.
What is the molecular formula of N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide?
The molecular formula of N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide is C13H15F5N6OS.
What is the molecular weight of N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide?
The molecular weight of N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide is 398.09 g/mol.
Where can I buy N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide?
You can request a quote for N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(difluoromethyl)-5-(ethylsulfanyl)-4H-1,2,4-triazol-4-yl]-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.