1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
TL;DR: 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (CAS 164226-66-8) is a chemical compound with molecular formula C17H18ClNO and molecular weight 287.1077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
Also Known As: 1-(3-chlorophenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one, 1-(3-chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one, 1-(3-CHLOROPHENYL)-2,6,6-TRIMETHYL-5,6,7-TRIHYDROINDOL-4-ONE
Technical Specifications
| Molecular Formula | C17H18ClNO |
| Molecular Weight | 287.1077 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.1077 Da |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
| SMILES | CC1=CC2=C(N1C3=CC(=CC=C3)Cl)CC(CC2=O)(C)C |
| InChIKey | KBVNJANYIOWEOS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
Property Insights of 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
The XLogP value of 4.3 indicates that 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-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-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-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
What is the CAS number of 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The CAS number of 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is 164226-66-8.
What is the molecular formula of 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The molecular formula of 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is C17H18ClNO.
What is the molecular weight of 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The molecular weight of 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is 287.1077 g/mol.
Where can I buy 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
You can request a quote for 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
Yes, CoreyChem provides custom synthesis services for 1-(3-Chlorophenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.