Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate
TL;DR: Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate (CAS 184949-63-1) is a chemical compound with molecular formula C13H9F6NO2S and molecular weight 357.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate
Also Known As: A2741/0116420, Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate, 3,3,3-Trifluoro-2-(1H-indol-3-ylsulfanyl)-2-trifluoromethyl-propionic acid methyl ester, methyl 2-((1H-indol-3-yl)thio)-3,3,3-trifluoro-2-(trifluoromethyl)propanoate, Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate #
| Molecular Formula | C13H9F6NO2S |
|---|---|
| Molecular Weight | 357.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.02582 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 184949-63-1 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(C(F)(F)F)SC1=CNC2=CC=CC=C21 |
| InChIKey | DYTMEBSAVISOHR-UHFFFAOYSA-N |
Product Overview
Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate (CAS 184949-63-1), with molecular formula C13H9F6NO2S and molecular weight 357.03 g/mol. IUPAC: methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate.
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate
Property Insights of Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate
The XLogP value of 4.6 indicates that Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate 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 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate has 1 hydrogen bond donor(s) and 9 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 Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate is 184949-63-1.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate is C13H9F6NO2S.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate is 357.03 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate?
You can request a quote for Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3,3-trifluoro-2-(1H-indol-3-ylsulfanyl)-2-(trifluoromethyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.