![2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate structure](/static/products/2450/245072-91-7.webp)
2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate
TL;DR: 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate (CAS 245072-91-7) is a chemical compound with molecular formula C11H7Cl3F3NO4S and molecular weight 410.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl 2,3,3-trichloroprop-2-enoate
Also Known As: 2-{[5-(trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate, 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl 2,3,3-trichloroprop-2-enoate, 2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}ethyl 2,3,3-trichloroacrylate, 2-([5-(TRIFLUOROMETHYL)-2-PYRIDYL]SULFONYL)ETHYL2,3,3-TRICHLOROACRYLATE, 2-[5-(trifluoromethyl)pyridin-2-ylsulfonyl]ethyl 2,3,3-trichloroprop-2-enoate
| Molecular Formula | C11H7Cl3F3NO4S |
|---|---|
| Molecular Weight | 410.91 g/mol |
| LogP | 3.3028 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.91135 |
| Heavy Atoms | 23 |
| Complexity | 713.0274 |
Chemical Identifiers
| CAS Number | 245072-91-7 |
|---|---|
| SMILES | C1=CC(=NC=C1C(F)(F)F)S(=O)(=O)CCOC(=O)C(=C(Cl)Cl)Cl |
Product Overview
2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate (CAS 245072-91-7), with molecular formula C11H7Cl3F3NO4S and molecular weight 410.91 g/mol. IUPAC: 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl 2,3,3-trichloroprop-2-enoate.
Chemical Property Profile of 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate
Property Insights of 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate
The XLogP value of 3.3028 indicates that 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate. Following Lipinski's Rule of Five, 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate has 0 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-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate?
The CAS number of 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate is 245072-91-7.
What is the molecular formula of 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate?
The molecular formula of 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate is C11H7Cl3F3NO4S.
What is the molecular weight of 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate?
The molecular weight of 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate is 410.91 g/mol.
Where can I buy 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate?
You can request a quote for 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(Trifluoromethyl)-2-pyridyl]sulphonyl}ethyl 2,3,3-trichloroacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.