1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
TL;DR: 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone (CAS 256391-56-7) is a chemical compound with molecular formula C17H12F3NO and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone
Also Known As: N-benzyl-3-trifluoroacetylindole, 1-(1-benzyl-1H-indol-3-yl)-2,2,2-trifluoroethan-1-one, 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone, BAS 04819370, 1-Benzyl-3-(trifluoroacetyl)-1H-indole
| Molecular Formula | C17H12F3NO |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 4.4346 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.0871 |
| Heavy Atoms | 22 |
| Complexity | 818.7864 |
Chemical Identifiers
| CAS Number | 256391-56-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(F)(F)F |
Product Overview
1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone (CAS 256391-56-7), with molecular formula C17H12F3NO and molecular weight 303.09 g/mol. IUPAC: 1-(1-benzylindol-3-yl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
Property Insights of 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
The XLogP value of 4.4346 indicates that 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone 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-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone 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-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone?
The CAS number of 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone is 256391-56-7.
What is the molecular formula of 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone?
The molecular formula of 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone is C17H12F3NO.
What is the molecular weight of 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone?
The molecular weight of 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone is 303.09 g/mol.
Where can I buy 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone?
You can request a quote for 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Benzyl-1H-indol-3-yl)-2,2,2-trifluoroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.