![3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one structure](/static/products/121/1219590-74-5.webp)
3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one (CAS 1219590-74-5) is a chemical compound with molecular formula C15H18ClNO and molecular weight 263.1077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-chloro-2-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: BAS 00341478, BIM-0020262.P001, 3-[(5-chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one, 3-(5-chloro-2-methylanilino)-5,5-dimethyl-2-cyclohexen-1-one, 3-(5-chloro-2-methylanilino)-5,5-dimethylcyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C15H18ClNO |
| Molecular Weight | 263.1077 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.1077 Da |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
| SMILES | CC1=C(C=C(C=C1)Cl)NC2=CC(=O)CC(C2)(C)C |
| InChIKey | AEPJAPJIHUUOQZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 4.0 indicates that 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-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 29.1 Ų, 3-[(5-Chloro-2-methylphenyl)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-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one has 1 hydrogen bond donor(s) and 2 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-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is 1219590-74-5.
What is the molecular formula of 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is C15H18ClNO.
What is the molecular weight of 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one is 263.1077 g/mol.
Where can I buy 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-[(5-Chloro-2-methylphenyl)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-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-[(5-Chloro-2-methylphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.