![2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide structure](/static/products/1005/1005589-06-9.webp)
2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
TL;DR: 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide (CAS 1005589-06-9) is a chemical compound with molecular formula C15H18F4N6OS and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
Also Known As: 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide, 2-[(5-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide, N~1~-ALLYL-2-[(5-{[3,5-BIS(DIFLUOROMETHYL)-1H-PYRAZOL-1-YL]METHYL}-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
| Molecular Formula | C15H18F4N6OS |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 2.8123 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 406.1199 |
| Heavy Atoms | 27 |
| Complexity | 791.3643 |
Chemical Identifiers
| CAS Number | 1005589-06-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCC=C)CN2C(=CC(=N2)C(F)F)C(F)F |
Product Overview
2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide (CAS 1005589-06-9), with molecular formula C15H18F4N6OS and molecular weight 406.12 g/mol. IUPAC: 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide.
Chemical Property Profile of 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
Property Insights of 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
The XLogP value of 2.8123 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide. Following Lipinski's Rule of Five, 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide 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 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
The CAS number of 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide is 1005589-06-9.
What is the molecular formula of 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
The molecular formula of 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide is C15H18F4N6OS.
What is the molecular weight of 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
The molecular weight of 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide is 406.12 g/mol.
Where can I buy 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
You can request a quote for 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.