4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-
TL;DR: 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)- (CAS 108664-29-5) is a chemical compound with molecular formula C13H9ClN2O2 and molecular weight 260.03525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyrimidin-4-one
Also Known As: 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-, 3-[1-(4-chlorobenzoyl)vinyl]pyrimidin-4-one, 4(3H)-Pyrimidinone,3-[1-(4-chlorobenzoyl)ethenyl]-, 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]pyrimidin-4-one, 4(3H)-Pyrimidinone,3-[1-(4-chlorobenzoyl)ethenyl]
Technical Specifications
| Molecular Formula | C13H9ClN2O2 |
| Molecular Weight | 260.03525 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.03525 Da |
| Heavy Atoms | 18 |
| Complexity | 434.0 |
| SMILES | C=C(C(=O)C1=CC=C(C=C1)Cl)N2C=NC=CC2=O |
| InChIKey | FNKSZCYWCKCZBX-UHFFFAOYSA-N |
Chemical Property Profile of 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-
Property Insights of 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-. With a topological polar surface area (TPSA) of 49.7 Ų, 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)- 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 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-?
The CAS number of 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)- is 108664-29-5.
What is the molecular formula of 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-?
The molecular formula of 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)- is C13H9ClN2O2.
What is the molecular weight of 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-?
The molecular weight of 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)- is 260.03525 g/mol.
Where can I buy 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-?
You can request a quote for 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)-?
Yes, CoreyChem provides custom synthesis services for 4(3H)-Pyrimidinone, 3-(1-(4-chlorobenzoyl)ethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.