![3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one structure](/static/products/1024/1024278-12-3.webp)
3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one
TL;DR: 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one (CAS 1024278-12-3) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.08694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-acetylanilino)-2-chloro-5-methylcyclohex-2-en-1-one
Also Known As: 3-[(4-acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one, 3-(4-acetylanilino)-2-chloro-5-methyl-2-cyclohexen-1-one, 3-(4-acetylanilino)-2-chloro-5-methylcyclohex-2-en-1-one, 3-((4-ACETYLPHENYL)AMINO)-2-CHLORO-5-METHYLCYCLOHEX-2-EN-1-ONE, 3-(4-acetylanilino)-2-chloro-5-methyl-cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C15H16ClNO2 |
| Molecular Weight | 277.08694 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.08694 Da |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
| SMILES | CC1CC(=C(C(=O)C1)Cl)NC2=CC=C(C=C2)C(=O)C |
| InChIKey | AKKGCJDJLITMCL-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one
Property Insights of 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one
The XLogP value of 3.1 indicates that 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one has 1 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 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one?
The CAS number of 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one is 1024278-12-3.
What is the molecular formula of 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one?
The molecular formula of 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one is C15H16ClNO2.
What is the molecular weight of 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one?
The molecular weight of 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one is 277.08694 g/mol.
Where can I buy 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one?
You can request a quote for 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-[(4-Acetylphenyl)amino]-2-chloro-5-methylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.