![3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one structure](/static/products/2588/258877-48-4.webp)
3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one
TL;DR: 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one (CAS 258877-48-4) is a chemical compound with molecular formula C13H14ClNO and molecular weight 235.07639 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-chlorophenyl)methylamino]cyclohex-2-en-1-one
Also Known As: 3-{[(4-chlorophenyl)methyl]amino}cyclohex-2-en-1-one, 3-[(4-chlorobenzyl)amino]-2-cyclohexen-1-one, 3-[(4-chlorobenzyl)amino]cyclohex-2-en-1-one, 3-[(4-chlorophenyl)methylamino]cyclohex-2-en-1-one, 3-[(4-chlorophenyl)methylamino]-1-cyclohex-2-enone
Technical Specifications
| Molecular Formula | C13H14ClNO |
| Molecular Weight | 235.07639 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.07639 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | C1CC(=CC(=O)C1)NCC2=CC=C(C=C2)Cl |
| InChIKey | YBWURWAAOLVOMX-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one
Property Insights of 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-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-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one?
The CAS number of 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one is 258877-48-4.
What is the molecular formula of 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one?
The molecular formula of 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one is C13H14ClNO.
What is the molecular weight of 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one?
The molecular weight of 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one is 235.07639 g/mol.
Where can I buy 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one?
You can request a quote for 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-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-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-{[(4-Chlorophenyl)methyl]amino}cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.