3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one (CAS 1024146-52-8) is a chemical compound with molecular formula C14H17ClN2O and molecular weight 264.10294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-(3-amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one, 3-((3-AMINO-5-CHLOROPHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE, 3-(3-amino-5-chloro-anilino)-5,5-dimethyl-cyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-[(3-amino-5-chlorophenyl)amino]-5,5-dimethyl-, 3-[(3-amino-5-chloro-phenyl)amino]-5,5-dimethyl-cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C14H17ClN2O |
| Molecular Weight | 264.10294 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.10294 Da |
| Heavy Atoms | 18 |
| Complexity | 365.0 |
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC(=CC(=C2)N)Cl)C |
| InChIKey | PAWMZXANDLAFDS-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one has 2 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-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one is 1024146-52-8.
What is the molecular formula of 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one is C14H17ClN2O.
What is the molecular weight of 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one is 264.10294 g/mol.
Where can I buy 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-(3-Amino-5-chloroanilino)-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-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(3-Amino-5-chloroanilino)-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.