2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione (CAS 1022759-84-7) is a chemical compound with molecular formula C17H19ClO3 and molecular weight 306.10226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-(2-(4-CHLORO-3-METHYLPHENYL)-2-OXOETHYL)-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE, 2-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[2-(4-chloro-3-methyl-phenyl)-2-oxo-ethyl]-5,5-dimethyl-cyclohexane-1,3-dione, C17H19ClO3
Technical Specifications
| Molecular Formula | C17H19ClO3 |
| Molecular Weight | 306.10226 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.10226 Da |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
| SMILES | CC1=C(C=CC(=C1)C(=O)CC2C(=O)CC(CC2=O)(C)C)Cl |
| InChIKey | LEJHJEBFKCGCLA-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 3.2 indicates that 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione is 1022759-84-7.
What is the molecular formula of 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione is C17H19ClO3.
What is the molecular weight of 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione is 306.10226 g/mol.
Where can I buy 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-(2-(4-Chloro-3-methylphenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.