Indole, 5-(dimethylamino)-3-(trifluoroacetyl)-
TL;DR: Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- (CAS 6884-81-7) is a chemical compound with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanone
Also Known As: 5-Dimethylamino-3-trifluoroacetylindole, INDOLE, 5-(DIMETHYLAMINO)-3-(TRIFLUOROACETYL)-, 5-22-13-00035 (Beilstein Handbook Reference), 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanone, 1-(5-dimethylamino-indol-3-yl)-2,2,2-trifluoro-ethanone
| Molecular Formula | C12H11F3N2O |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.08234 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 6884-81-7 |
|---|---|
| SMILES | CN(C)C1=CC2=C(C=C1)NC=C2C(=O)C(F)(F)F |
| InChIKey | XSYIGNTVFXNTQH-UHFFFAOYSA-N |
Product Overview
Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- (CAS 6884-81-7), with molecular formula C12H11F3N2O and molecular weight 256.08 g/mol. IUPAC: 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanone.
Chemical Property Profile of Indole, 5-(dimethylamino)-3-(trifluoroacetyl)-
Property Insights of Indole, 5-(dimethylamino)-3-(trifluoroacetyl)-
The XLogP value of 3.6 indicates that Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.1 Ų, Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- has 1 hydrogen bond donor(s) and 5 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 Indole, 5-(dimethylamino)-3-(trifluoroacetyl)-?
The CAS number of Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- is 6884-81-7.
What is the molecular formula of Indole, 5-(dimethylamino)-3-(trifluoroacetyl)-?
The molecular formula of Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- is C12H11F3N2O.
What is the molecular weight of Indole, 5-(dimethylamino)-3-(trifluoroacetyl)-?
The molecular weight of Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- is 256.08 g/mol.
Where can I buy Indole, 5-(dimethylamino)-3-(trifluoroacetyl)-?
You can request a quote for Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 5-(dimethylamino)-3-(trifluoroacetyl)-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 5-(dimethylamino)-3-(trifluoroacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.