1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one
TL;DR: 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one (CAS 58158-57-9) is a chemical compound with molecular formula C13H10ClNO and molecular weight 231.04509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-2-pyridin-3-ylethanone
Also Known As: 1-(4-Chlorophenyl)-2-(3-pyridinyl)ethanone, 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethanone, 1-(4-chlorophenyl)-2-pyridin-3-ylethanone, 1-(4-chlorophenyl)-2-(pyridin-3-yl)ethan-1-one, Ethanone, 1-(4-chlorophenyl)-2-(3-pyridinyl)-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10ClNO |
| Molecular Weight | 231.04509 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.04509 Da |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
| SMILES | C1=CC(=CN=C1)CC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | XPSQHYPYPLUYAC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one
Property Insights of 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one has 0 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 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one?
The CAS number of 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one is 58158-57-9.
What is the molecular formula of 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one?
The molecular formula of 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one is C13H10ClNO.
What is the molecular weight of 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one?
The molecular weight of 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one is 231.04509 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one?
You can request a quote for 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.