2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione
TL;DR: 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione (CAS 1022859-89-7) is a chemical compound with molecular formula C15H15ClO3 and molecular weight 278.07098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylcyclohexane-1,3-dione
Also Known As: starbld0013747, 2-(2-(4-CHLOROPHENYL)-2-OXOETHYL)-5-METHYLCYCLOHEXANE-1,3-DIONE, 2-[2-(4-chlorophenyl)-2-oxoethyl]-5-methylcyclohexane-1,3-dione, 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-5-methyl-cyclohexane-1,3-dione
Technical Specifications
| Molecular Formula | C15H15ClO3 |
| Molecular Weight | 278.07098 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.07098 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | CC1CC(=O)C(C(=O)C1)CC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | XWDCYCYFWLPUMV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione
Property Insights of 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 51.2 Ų, 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-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-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione?
The CAS number of 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione is 1022859-89-7.
What is the molecular formula of 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione?
The molecular formula of 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione is C15H15ClO3.
What is the molecular weight of 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione?
The molecular weight of 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione is 278.07098 g/mol.
Where can I buy 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione?
You can request a quote for 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-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-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-(2-(4-Chlorophenyl)-2-oxoethyl)-5-methylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.