1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one
TL;DR: 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one (CAS 202074-30-4) is a chemical compound with molecular formula C13H10F3NO and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one
Also Known As: 1,1,1-trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one, (E)-1,1,1-trifluoro-4-(1-methyl-1H-indol-3-yl)-3-buten-2-one
| Molecular Formula | C13H10F3NO |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 3.3229 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.07144 |
| Heavy Atoms | 18 |
| Complexity | 622.68835 |
Chemical Identifiers
| CAS Number | 202074-30-4 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)C=CC(=O)C(F)(F)F |
Product Overview
1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one (CAS 202074-30-4), with molecular formula C13H10F3NO and molecular weight 253.07 g/mol. IUPAC: 1,1,1-trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one
Property Insights of 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one
The XLogP value of 3.3229 indicates that 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one 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 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one?
The CAS number of 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one is 202074-30-4.
What is the molecular formula of 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one?
The molecular formula of 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one is C13H10F3NO.
What is the molecular weight of 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one?
The molecular weight of 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one is 253.07 g/mol.
Where can I buy 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one?
You can request a quote for 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-(1-methylindol-3-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.