3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
TL;DR: 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one (CAS 1022455-35-1) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-acetylanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-[(4-acetylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one, 3-((4-ACETYLPHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE, 3-(4-acetylanilino)-5,5-dimethylcyclohex-2-en-1-one, 3-(4-acetylanilino)-5,5-dimethyl-cyclohex-2-en-1-one, 3-[(4-acetylphenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C16H19NO2 |
| Molecular Weight | 257.14157 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.14157 Da |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)NC2=CC(=O)CC(C2)(C)C |
| InChIKey | MOHNWBUNTHHROO-UHFFFAOYSA-N |
Chemical Property Profile of 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
Property Insights of 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one. With a topological polar surface area (TPSA) of 46.2 Ų, 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-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)-5,5-dimethylcyclohex-2-EN-1-one?
The CAS number of 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is 1022455-35-1.
What is the molecular formula of 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
The molecular formula of 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is C16H19NO2.
What is the molecular weight of 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
The molecular weight of 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one is 257.14157 g/mol.
Where can I buy 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one?
You can request a quote for 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-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)-5,5-dimethylcyclohex-2-EN-1-one?
Yes, CoreyChem provides custom synthesis services for 3-((4-Acetylphenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.