4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
TL;DR: 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one (CAS 1164506-63-1) is a chemical compound with molecular formula C13H16ClNO2 and molecular weight 253.08696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
Also Known As: 4-(4-chlorophenoxy)-1-(dimethylamino)-1-penten-3-one, 4-(4-chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
Technical Specifications
| Molecular Formula | C13H16ClNO2 |
| Molecular Weight | 253.08696 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.08696 Da |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
| SMILES | CC(C(=O)C=CN(C)C)OC1=CC=C(C=C1)Cl |
| InChIKey | HYBSAHPNXCCSOM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
Property Insights of 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
The XLogP value of 3.0 indicates that 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one has 0 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 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one?
The CAS number of 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one is 1164506-63-1.
What is the molecular formula of 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one?
The molecular formula of 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one is C13H16ClNO2.
What is the molecular weight of 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one?
The molecular weight of 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one is 253.08696 g/mol.
Where can I buy 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one?
You can request a quote for 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.