1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
TL;DR: 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one (CAS 147030-62-4) is a chemical compound with molecular formula C12H13ClO3 and molecular weight 240.05533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
Also Known As: 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one, 3'-Chloro-3-(1,3-dioxolan-2-yl)propiophenone, 1-Propanone, 1-(3-chlorophenyl)-3-(1,3-dioxolan-2-yl)-
Technical Specifications
| Molecular Formula | C12H13ClO3 |
| Molecular Weight | 240.05533 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.05533 Da |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
| SMILES | C1COC(O1)CCC(=O)C2=CC(=CC=C2)Cl |
| InChIKey | OVRLOLCHGXYIJS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
Property Insights of 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-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 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one?
The CAS number of 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one is 147030-62-4.
What is the molecular formula of 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one?
The molecular formula of 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one is C12H13ClO3.
What is the molecular weight of 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one?
The molecular weight of 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one is 240.05533 g/mol.
Where can I buy 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one?
You can request a quote for 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(3-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.