2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone
TL;DR: 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone (CAS 112336-14-8) is a chemical compound with molecular formula C12H8Cl2N2O and molecular weight 266.00137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone
Also Known As: 2-chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone, 2-chloro-2-(5-chloro-2-pyrimidinyl)-1-phenylethanone
Technical Specifications
| Molecular Formula | C12H8Cl2N2O |
| Molecular Weight | 266.00137 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.00137 Da |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C(C2=NC=C(C=N2)Cl)Cl |
| InChIKey | RGQMZLOKLPCELK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone
Property Insights of 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone. With a topological polar surface area (TPSA) of 42.9 Ų, 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone 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 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone?
The CAS number of 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone is 112336-14-8.
What is the molecular formula of 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone?
The molecular formula of 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone is C12H8Cl2N2O.
What is the molecular weight of 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone?
The molecular weight of 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone is 266.00137 g/mol.
Where can I buy 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone?
You can request a quote for 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-2-(5-chloropyrimidin-2-yl)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.