(Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate
TL;DR: (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate (CAS 89563-14-4) is a chemical compound with molecular formula C8H8F4O3S and molecular weight 260.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-fluoro-3-(2-oxopropylsulfanyl)-2-(trifluoromethyl)prop-2-enoate
Also Known As: (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate, methyl (Z)-3-fluoro-3-(2-oxopropylsulfanyl)-2-(trifluoromethyl)prop-2-enoate
| Molecular Formula | C8H8F4O3S |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 2.225 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.01303 |
| Heavy Atoms | 16 |
| Complexity | 321.73535 |
Chemical Identifiers
| CAS Number | 89563-14-4 |
|---|---|
| SMILES | CC(=O)CS/C(=C(/C(=O)OC)\C(F)(F)F)/F |
Product Overview
(Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate (CAS 89563-14-4), with molecular formula C8H8F4O3S and molecular weight 260.01 g/mol. IUPAC: methyl (Z)-3-fluoro-3-(2-oxopropylsulfanyl)-2-(trifluoromethyl)prop-2-enoate.
Chemical Property Profile of (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate
Property Insights of (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate
The XLogP value of 2.225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate. With a topological polar surface area (TPSA) of 43.37 Ų, (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate has 0 hydrogen bond donor(s) and 4 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 (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate?
The CAS number of (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate is 89563-14-4.
What is the molecular formula of (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate?
The molecular formula of (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate is C8H8F4O3S.
What is the molecular weight of (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate?
The molecular weight of (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate is 260.01 g/mol.
Where can I buy (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate?
You can request a quote for (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 3-fluoro-3-((2-oxopropyl)thio)-2-(trifluoromethyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.