![3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione structure](/static/products/1086/108664-30-8.webp)
3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione
TL;DR: 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione (CAS 108664-30-8) is a chemical compound with molecular formula C13H9ClN2O3 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione
Also Known As: 1-[1-(4-CHLOROBENZOYL)ETHENYL]-1,6-DIHYDRO-2,5-PYRIMIDINEDIONE, 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione
| Molecular Formula | C13H9ClN2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 2.1119 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.03018 |
| Heavy Atoms | 19 |
| Complexity | 604.8193 |
Chemical Identifiers
| CAS Number | 108664-30-8 |
|---|---|
| SMILES | C=C(C(=O)C1=CC=C(C=C1)Cl)N2CC(=O)C=NC2=O |
Product Overview
3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione (CAS 108664-30-8), with molecular formula C13H9ClN2O3 and molecular weight 276.03 g/mol. IUPAC: 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione.
Chemical Property Profile of 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione
Property Insights of 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione
The XLogP value of 2.1119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione. Following Lipinski's Rule of Five, 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione 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
Frequently Asked Questions
What is the CAS number of 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione?
The CAS number of 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione is 108664-30-8.
What is the molecular formula of 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione?
The molecular formula of 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione is C13H9ClN2O3.
What is the molecular weight of 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione?
The molecular weight of 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione is 276.03 g/mol.
Where can I buy 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione?
You can request a quote for 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4H-pyrimidine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.