6-Ethoxy-2-phenylpyrimidin-4(3H)-one
TL;DR: 6-Ethoxy-2-phenylpyrimidin-4(3H)-one (CAS 42956-84-3) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-2-phenyl-1H-pyrimidin-6-one
Also Known As: 6-Ethoxy-2-phenyl-4(H)-pyrimidinone, 4(1H)-Pyrimidinone, 6-ethoxy-2-phenyl-, 4-ethoxy-2-phenyl-1H-pyrimidin-6-one, 6-Ethoxy-2-phenylpyrimidin-4 -one, 6-Ethoxy-2-phenylpyrimidin-4(3H)-one
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 42956-84-3 |
|---|---|
| SMILES | CCOC1=CC(=O)NC(=N1)C2=CC=CC=C2 |
| InChIKey | PJTOQULKVMWVLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Ethoxy-2-phenylpyrimidin-4(3H)-one (CAS 42956-84-3), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 4-ethoxy-2-phenyl-1H-pyrimidin-6-one.
Chemical Property Profile of 6-Ethoxy-2-phenylpyrimidin-4(3H)-one
Property Insights of 6-Ethoxy-2-phenylpyrimidin-4(3H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethoxy-2-phenylpyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 50.7 Ų, 6-Ethoxy-2-phenylpyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethoxy-2-phenylpyrimidin-4(3H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Ethoxy-2-phenylpyrimidin-4(3H)-one?
The CAS number of 6-Ethoxy-2-phenylpyrimidin-4(3H)-one is 42956-84-3.
What is the molecular formula of 6-Ethoxy-2-phenylpyrimidin-4(3H)-one?
The molecular formula of 6-Ethoxy-2-phenylpyrimidin-4(3H)-one is C12H12N2O2.
What is the molecular weight of 6-Ethoxy-2-phenylpyrimidin-4(3H)-one?
The molecular weight of 6-Ethoxy-2-phenylpyrimidin-4(3H)-one is 216.09 g/mol.
Where can I buy 6-Ethoxy-2-phenylpyrimidin-4(3H)-one?
You can request a quote for 6-Ethoxy-2-phenylpyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethoxy-2-phenylpyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethoxy-2-phenylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.