![1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde structure](/static/products/3384/338416-52-7.webp)
1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde
TL;DR: 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde (CAS 338416-52-7) is a chemical compound with molecular formula C17H12F3NOS and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylindole-3-carbaldehyde
Also Known As: 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde, 1-methyl-2-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-indole-3-carbaldehyde, 1-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylindole-3-carbaldehyde, 1-Methyl-2-((3-(trifluoromethyl)phenyl)thio)-1H-indole-3-carbaldehyde, 1-methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carbaldehyde
| Molecular Formula | C17H12F3NOS |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 5.1608 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.05917 |
| Heavy Atoms | 23 |
| Complexity | 883.16614 |
Chemical Identifiers
| CAS Number | 338416-52-7 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=C1SC3=CC=CC(=C3)C(F)(F)F)C=O |
Product Overview
1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde (CAS 338416-52-7), with molecular formula C17H12F3NOS and molecular weight 335.06 g/mol. IUPAC: 1-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylindole-3-carbaldehyde.
Chemical Property Profile of 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde
Property Insights of 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde
The XLogP value of 5.1608 indicates that 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde?
The CAS number of 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde is 338416-52-7.
What is the molecular formula of 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde?
The molecular formula of 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde is C17H12F3NOS.
What is the molecular weight of 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde?
The molecular weight of 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde is 335.06 g/mol.
Where can I buy 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde?
You can request a quote for 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-[3-(trifluoromethyl)phenylthio]indole-3-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.