![5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione structure](/static/products/3755/37556-14-2.webp)
5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
TL;DR: 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione (CAS 37556-14-2) is a chemical compound with molecular formula C11H9ClN2O3 and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
Also Known As: 5-(4-chlorobenzyl)-barbituric acid, 5-[(4-chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione, 5-[(4-Chlorophenyl)methyl]pyrimidine-2,4,6(1H,3H,5H)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(4-chlorophenyl)methyl]-
| Molecular Formula | C11H9ClN2O3 |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.03017 |
| Heavy Atoms | 17 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 37556-14-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2C(=O)NC(=O)NC2=O)Cl |
| InChIKey | UOOKDUSRLHMKIV-UHFFFAOYSA-N |
Product Overview
5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione (CAS 37556-14-2), with molecular formula C11H9ClN2O3 and molecular weight 252.03 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
Property Insights of 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione has 2 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 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione?
The CAS number of 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione is 37556-14-2.
What is the molecular formula of 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione is C11H9ClN2O3.
What is the molecular weight of 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione is 252.03 g/mol.
Where can I buy 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-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 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Chlorophenyl)methyl]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.