5,5-Dichlorobarbituric acid
TL;DR: 5,5-Dichlorobarbituric acid (CAS 699-40-1) is a chemical compound with molecular formula C4H2Cl2N2O3 and molecular weight 195.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dichloro-1,3-diazinane-2,4,6-trione
Also Known As: 5,5-DICHLOROBARBITURIC ACID, 5,5-Dichloromalonylurea, 5,5-dichloro-1,3-diazinane-2,4,6-trione, 5,5-dichloro-Barbituric acid, Boc-(S)-3-Amino-4-(2-cyanophenyl)butanoicacid
| Molecular Formula | C4H2Cl2N2O3 |
|---|---|
| Molecular Weight | 195.94 g/mol |
| LogP | -0.4737 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.94424 |
| Heavy Atoms | 11 |
| Complexity | 227.72173 |
Chemical Identifiers
| CAS Number | 699-40-1 |
|---|---|
| SMILES | C1(=O)C(C(=O)NC(=O)N1)(Cl)Cl |
Product Overview
5,5-Dichlorobarbituric acid (CAS 699-40-1), with molecular formula C4H2Cl2N2O3 and molecular weight 195.94 g/mol. IUPAC: 5,5-dichloro-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5,5-Dichlorobarbituric acid
Property Insights of 5,5-Dichlorobarbituric acid
The XLogP value of -0.4737 indicates that 5,5-Dichlorobarbituric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dichlorobarbituric acid. Following Lipinski's Rule of Five, 5,5-Dichlorobarbituric acid 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 5,5-Dichlorobarbituric acid?
The CAS number of 5,5-Dichlorobarbituric acid is 699-40-1.
What is the molecular formula of 5,5-Dichlorobarbituric acid?
The molecular formula of 5,5-Dichlorobarbituric acid is C4H2Cl2N2O3.
What is the molecular weight of 5,5-Dichlorobarbituric acid?
The molecular weight of 5,5-Dichlorobarbituric acid is 195.94 g/mol.
Where can I buy 5,5-Dichlorobarbituric acid?
You can request a quote for 5,5-Dichlorobarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dichlorobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dichlorobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.