1-Phenyl-2-pyrimidin-4-ylethanone
TL;DR: 1-Phenyl-2-pyrimidin-4-ylethanone (CAS 102582-93-4) is a chemical compound with molecular formula C12H10N2O and molecular weight 198.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-2-pyrimidin-4-ylethanone
Also Known As: 1-phenyl-2-pyrimidin-4-ylethanone, 1-phenyl-2-(pyrimidin-4-yl)ethanone, 4-phenacylpyrimidine, 1-Phenyl-2-pyrimidin-4-yl ethanone, 1-phenyl-2-(4-pyrimidinyl)ethanone
Technical Specifications
| Molecular Formula | C12H10N2O |
| Molecular Weight | 198.07932 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.07932 Da |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CC2=NC=NC=C2 |
| InChIKey | BJDUPABHTHYHEX-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenyl-2-pyrimidin-4-ylethanone
Property Insights of 1-Phenyl-2-pyrimidin-4-ylethanone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-pyrimidin-4-ylethanone. With a topological polar surface area (TPSA) of 42.9 Ų, 1-Phenyl-2-pyrimidin-4-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-2-pyrimidin-4-ylethanone 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-Phenyl-2-pyrimidin-4-ylethanone?
The CAS number of 1-Phenyl-2-pyrimidin-4-ylethanone is 102582-93-4.
What is the molecular formula of 1-Phenyl-2-pyrimidin-4-ylethanone?
The molecular formula of 1-Phenyl-2-pyrimidin-4-ylethanone is C12H10N2O.
What is the molecular weight of 1-Phenyl-2-pyrimidin-4-ylethanone?
The molecular weight of 1-Phenyl-2-pyrimidin-4-ylethanone is 198.07932 g/mol.
Where can I buy 1-Phenyl-2-pyrimidin-4-ylethanone?
You can request a quote for 1-Phenyl-2-pyrimidin-4-ylethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenyl-2-pyrimidin-4-ylethanone?
Yes, CoreyChem provides custom synthesis services for 1-Phenyl-2-pyrimidin-4-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.