2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-
TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)- (CAS 5569-96-0) is a chemical compound with molecular formula C14H13ClN2O5 and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(4-chlorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-yl] propanoate
Also Known As: 5-Propionoxy-5-(p-chlorobenzyl)barbituric acid, 5-25-03-00334 (Beilstein Handbook Reference), 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-, 5-((4-Chlorophenyl)methyl)-5-(1-oxopropoxy)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-(4-chlorobenzyl)-2,4,6-trioxohexahydropyrimidin-5-yl propanoate
| Molecular Formula | C14H13ClN2O5 |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.0513 |
| Heavy Atoms | 22 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 5569-96-0 |
|---|---|
| SMILES | CCC(=O)OC1(C(=O)NC(=O)NC1=O)CC2=CC=C(C=C2)Cl |
| InChIKey | UURFJSULFODECU-UHFFFAOYSA-N |
Product Overview
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)- (CAS 5569-96-0), with molecular formula C14H13ClN2O5 and molecular weight 324.05 g/mol. IUPAC: [5-[(4-chlorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-yl] propanoate.
Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-
Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)- has 2 hydrogen bond donor(s) and 5 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 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-?
The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)- is 5569-96-0.
What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-?
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)- is C14H13ClN2O5.
What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-?
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)- is 324.05 g/mol.
Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-?
You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-chlorophenyl)methyl)-5-(1-oxopropoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.