1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione
TL;DR: 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione (CAS 5174-74-3) is a chemical compound with molecular formula C10H7ClN2O3 and molecular weight 238.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione, 1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione, 1-(4-chlorophenyl)barbituric acid, BAS 02591731
| Molecular Formula | C10H7ClN2O3 |
|---|---|
| Molecular Weight | 238.01 g/mol |
| LogP | 1.3129 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.01453 |
| Heavy Atoms | 16 |
| Complexity | 449.45743 |
Chemical Identifiers
| CAS Number | 5174-74-3 |
|---|---|
| SMILES | C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl |
Product Overview
1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione (CAS 5174-74-3), with molecular formula C10H7ClN2O3 and molecular weight 238.01 g/mol. IUPAC: 1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione
Property Insights of 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione
The XLogP value of 1.3129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione. Following Lipinski's Rule of Five, 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione 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 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione?
The CAS number of 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione is 5174-74-3.
What is the molecular formula of 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione?
The molecular formula of 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione is C10H7ClN2O3.
What is the molecular weight of 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione?
The molecular weight of 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione is 238.01 g/mol.
Where can I buy 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione?
You can request a quote for 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-phenyl)-pyrimidine-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.