Dimethylbarbituric acid
TL;DR: Dimethylbarbituric acid (CAS 769-42-6) is a chemical compound with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 1,3-Dimethylbarbituric acid, Urapidil Impurity 6, 1,3-Dimethylbarbituricacid, N,N'-Dimethylbarbituric acid, 1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C6H8N2O3 |
|---|---|
| Molecular Weight | 156.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.0535 |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 769-42-6 |
|---|---|
| SMILES | CN1C(=O)CC(=O)N(C1=O)C |
| InChIKey | VVSASNKOFCZVES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethylbarbituric acid (CAS 769-42-6), with molecular formula C6H8N2O3 and molecular weight 156.05 g/mol. IUPAC: 1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Dimethylbarbituric acid
Property Insights of Dimethylbarbituric acid
The XLogP value of -0.8 indicates that Dimethylbarbituric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.7 Ų, Dimethylbarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylbarbituric acid 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 Dimethylbarbituric acid?
The CAS number of Dimethylbarbituric acid is 769-42-6.
What is the molecular formula of Dimethylbarbituric acid?
The molecular formula of Dimethylbarbituric acid is C6H8N2O3.
What is the molecular weight of Dimethylbarbituric acid?
The molecular weight of Dimethylbarbituric acid is 156.05 g/mol.
Where can I buy Dimethylbarbituric acid?
You can request a quote for Dimethylbarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylbarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for Dimethylbarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.