![methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate structure](/static/products/4812/4812-66-2.webp)
methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate
TL;DR: methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate (CAS 4812-66-2) 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 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate
Also Known As: methyl 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 | 5.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.0603 |
| Heavy Atoms | 27 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 4812-66-2 |
|---|---|
| SMILES | COC(=O)C(=C(F)SC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C(F)(F)F |
| InChIKey | BAUYQQFSOGHOLU-UHFFFAOYSA-N |
Product Overview
methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate (CAS 4812-66-2), with molecular formula C19H13F4NO2S and molecular weight 395.06 g/mol. IUPAC: methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate.
Chemical Property Profile of methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate
Property Insights of methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate
The XLogP value of 5.4 indicates that methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate. Following Lipinski's Rule of Five, methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate?
The CAS number of methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate is 4812-66-2.
What is the molecular formula of methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate?
The molecular formula of methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate is C19H13F4NO2S.
What is the molecular weight of methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate?
The molecular weight of methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate is 395.06 g/mol.
Where can I buy methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate?
You can request a quote for methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-fluoro-3-[(2-phenyl-1H-indol-3-yl)sulfanyl]-2-(trifluoromethyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.