(Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate
TL;DR: (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate (CAS 352318-93-5) is a chemical compound with molecular formula C19H13F4NO2S and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate
Also Known As: (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate, methyl (Z)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate
| Molecular Formula | C19H13F4NO2S |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 5.8434 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.0603 |
| Heavy Atoms | 27 |
| Complexity | 1009.4716 |
Chemical Identifiers
| CAS Number | 352318-93-5 |
|---|---|
| SMILES | COC(=O)/C(=C(\F)/SC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)/C(F)(F)F |
Product Overview
(Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate (CAS 352318-93-5), with molecular formula C19H13F4NO2S and molecular weight 395.06 g/mol. IUPAC: methyl (Z)-3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate.
Chemical Property Profile of (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate
Property Insights of (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate
The XLogP value of 5.8434 indicates that (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)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-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate?
The CAS number of (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate is 352318-93-5.
What is the molecular formula of (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate?
The molecular formula of (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate is C19H13F4NO2S.
What is the molecular weight of (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate?
The molecular weight of (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate is 395.06 g/mol.
Where can I buy (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate?
You can request a quote for (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)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-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 3-fluoro-3-((2-phenyl-1H-indol-3-yl)thio)-2-(trifluoromethyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.