1-Methyl-3-(trifluoroacetyl)-1H-indole
TL;DR: 1-Methyl-3-(trifluoroacetyl)-1H-indole (CAS 318-54-7) is a chemical compound with molecular formula C11H8F3NO and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone
Also Known As: 1-Methyl-3-(trifluoroacetyl)-1H-indole, 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone, 2,2,2-Trifluoro-1-(1-methyl-1H-indol-3-yl)ethan-1-one, 1-Methylindole, 3-trifluoroacetyl-, N-METHYL-3-TRIFLUOROACETYLINDOLE
| Molecular Formula | C11H8F3NO |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 2.9233 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.0558 |
| Heavy Atoms | 16 |
| Complexity | 553.8453 |
Chemical Identifiers
| CAS Number | 318-54-7 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)C(=O)C(F)(F)F |
Product Overview
1-Methyl-3-(trifluoroacetyl)-1H-indole (CAS 318-54-7), with molecular formula C11H8F3NO and molecular weight 227.06 g/mol. IUPAC: 2,2,2-trifluoro-1-(1-methylindol-3-yl)ethanone.
Chemical Property Profile of 1-Methyl-3-(trifluoroacetyl)-1H-indole
Property Insights of 1-Methyl-3-(trifluoroacetyl)-1H-indole
The XLogP value of 2.9233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-(trifluoroacetyl)-1H-indole. With a topological polar surface area (TPSA) of 22.0 Ų, 1-Methyl-3-(trifluoroacetyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-(trifluoroacetyl)-1H-indole has 0 hydrogen bond donor(s) and 1 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 1-Methyl-3-(trifluoroacetyl)-1H-indole?
The CAS number of 1-Methyl-3-(trifluoroacetyl)-1H-indole is 318-54-7.
What is the molecular formula of 1-Methyl-3-(trifluoroacetyl)-1H-indole?
The molecular formula of 1-Methyl-3-(trifluoroacetyl)-1H-indole is C11H8F3NO.
What is the molecular weight of 1-Methyl-3-(trifluoroacetyl)-1H-indole?
The molecular weight of 1-Methyl-3-(trifluoroacetyl)-1H-indole is 227.06 g/mol.
Where can I buy 1-Methyl-3-(trifluoroacetyl)-1H-indole?
You can request a quote for 1-Methyl-3-(trifluoroacetyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-(trifluoroacetyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(trifluoroacetyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.