3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one
TL;DR: 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one (CAS 1023576-47-7) is a chemical compound with molecular formula C12H12Cl2N2O and molecular weight 270.03265 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one
Also Known As: 3-(3-amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one, 3-((3-AMINO-4-CHLOROPHENYL)AMINO)-2-CHLOROCYCLOHEX-2-EN-1-ONE, 3-(3-amino-4-chloro-anilino)-2-chloro-cyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-[(3-amino-4-chlorophenyl)amino]-2-chloro-, 3-[(3-amino-4-chloro-phenyl)amino]-2-chloro-cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C12H12Cl2N2O |
| Molecular Weight | 270.03265 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 | 270.03265 Da |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
| SMILES | C1CC(=C(C(=O)C1)Cl)NC2=CC(=C(C=C2)Cl)N |
| InChIKey | AQLIGGHKRSQJRW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one
Property Insights of 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-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-4-chloroanilino)-2-chlorocyclohex-2-en-1-one?
The CAS number of 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one is 1023576-47-7.
What is the molecular formula of 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one?
The molecular formula of 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one is C12H12Cl2N2O.
What is the molecular weight of 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one?
The molecular weight of 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one is 270.03265 g/mol.
Where can I buy 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one?
You can request a quote for 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-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-4-chloroanilino)-2-chlorocyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(3-Amino-4-chloroanilino)-2-chlorocyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.