![4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one structure](/static/products/1164/1164455-16-6.webp)
4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one
TL;DR: 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one (CAS 1164455-16-6) is a chemical compound with molecular formula C18H12ClF3N2O and molecular weight 364.05902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one
Also Known As: Bionet1_002220, 4-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-indol-3-yl}-3-buten-2-one, 4-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]but-3-en-2-one, 4-{1-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]INDOL-3-YL}BUT-3-EN-2-ONE
Technical Specifications
| Molecular Formula | C18H12ClF3N2O |
| Molecular Weight | 364.05902 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.05902 Da |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
| SMILES | CC(=O)C=CC1=CN(C2=CC=CC=C21)C3=C(C=C(C=N3)C(F)(F)F)Cl |
| InChIKey | DRUOJRHUAMTZLK-UHFFFAOYSA-N |
Chemical Property Profile of 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one
Property Insights of 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one
The XLogP value of 4.5 indicates that 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]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 34.9 Ų, 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one?
The CAS number of 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one is 1164455-16-6.
What is the molecular formula of 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one?
The molecular formula of 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one is C18H12ClF3N2O.
What is the molecular weight of 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one?
The molecular weight of 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one is 364.05902 g/mol.
Where can I buy 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one?
You can request a quote for 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 4-[1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indol-3-yl]but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.