1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one
TL;DR: 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one (CAS 401607-52-1) is a chemical compound with molecular formula C12H8F3NO and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one
Also Known As: 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one, trans-1,1,1-Trifluoro-4-(3-indolyl)-3-buten-2-one, 3-Buten-2-one,1,1,1-trifluoro-4-(1H-indol-3-yl)-, (3E)-, (E)-1,1,1-trifluoro-4-(1H-indol-3-yl)-3-buten-2-one, 3-Buten-2-one, 1,1,1-trifluoro-4-(1H-indol-3-yl)-
| Molecular Formula | C12H8F3NO |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 3.3125 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0558 |
| Heavy Atoms | 17 |
| Complexity | 580.6934 |
Chemical Identifiers
| CAS Number | 401607-52-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=CC(=O)C(F)(F)F |
Product Overview
1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one (CAS 401607-52-1), with molecular formula C12H8F3NO and molecular weight 239.06 g/mol. IUPAC: 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one.
Chemical Property Profile of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one
Property Insights of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one
The XLogP value of 3.3125 indicates that 1,1,1-trifluoro-4-(1H-indol-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 32.86 Ų, 1,1,1-trifluoro-4-(1H-indol-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-(1H-indol-3-yl)but-3-en-2-one has 1 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-(1H-indol-3-yl)but-3-en-2-one?
The CAS number of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one is 401607-52-1.
What is the molecular formula of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one?
The molecular formula of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one is C12H8F3NO.
What is the molecular weight of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one?
The molecular weight of 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one is 239.06 g/mol.
Where can I buy 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one?
You can request a quote for 1,1,1-trifluoro-4-(1H-indol-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-(1H-indol-3-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-trifluoro-4-(1H-indol-3-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.