(E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate
TL;DR: (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate (CAS 1164527-73-4) is a chemical compound with molecular formula C18H15F2NO3S and molecular weight 363.07407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl (E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]prop-2-enoate
Also Known As: (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate, F1118-0187, propan-2-yl (E)-2-cyano-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]prop-2-enoate, (E)-2-Cyano-3-[5-(4-difluoromethylsulfanyl-phenyl)-furan-2-yl]-acrylic acid isopropyl ester, isopropyl (E)-2-cyano-3-{5-[p-(difluoromethylthio)phenyl]-2-furyl}acrylate
Technical Specifications
| Molecular Formula | C18H15F2NO3S |
| Molecular Weight | 363.07407 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 363.07407 Da |
| Heavy Atoms | 25 |
| Complexity | 536.0 |
| SMILES | CC(C)OC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)SC(F)F)/C#N |
| InChIKey | KIBGQIWKQWDTJC-UKTHLTGXSA-N |
Chemical Property Profile of (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate
Property Insights of (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate
The XLogP value of 5.2 indicates that (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate. Following Lipinski's Rule of Five, (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
The CAS number of (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate is 1164527-73-4.
What is the molecular formula of (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
The molecular formula of (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate is C18H15F2NO3S.
What is the molecular weight of (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
The molecular weight of (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate is 363.07407 g/mol.
Where can I buy (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
You can request a quote for (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate?
Yes, CoreyChem provides custom synthesis services for (E)-isopropyl 2-cyano-3-(5-(4-((difluoromethyl)thio)phenyl)furan-2-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.