Barbituric Acid
TL;DR: Barbituric Acid (CAS 67-52-7) is a chemical compound with molecular formula C4H4N2O3 and molecular weight 128.02219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
巴比妥酸
1,3-diazinane-2,4,6-trione
Also Known As: BARBITURIC ACID, Malonylurea, Pyrimidinetrione, 6-Hydroxyuracil, Pyrimidinetriol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4N2O3 |
| Molecular Weight | 128.02219 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.02219 Da |
| Heavy Atoms | 9 |
| Complexity | 168.0 |
| Melting Point | 248 °C |
| Solubility | 1.9e-05 mg/mL at 37 °C |
| SMILES | C1C(=O)NC(=O)NC1=O |
| InChIKey | HNYOPLTXPVRDBG-UHFFFAOYSA-N |
Product Description
Applications: Barbituric Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Barbituric Acid (CAS 67-52-7) has the molecular formula C4H4N2O3 and a molecular weight of 128.02 g/mol. Reported properties include a solubility: 1.9e-05 mg/mL at 37 °C. Synonyms include BARBITURIC ACID and Malonylurea.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Barbituric Acid
Property Insights of Barbituric Acid
The XLogP value of -1.5 indicates that Barbituric Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barbituric Acid. Following Lipinski's Rule of Five, Barbituric 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
What is the CAS number of Barbituric Acid?
The CAS number of Barbituric Acid is 67-52-7.
What is the molecular formula of Barbituric Acid?
The molecular formula of Barbituric Acid is C4H4N2O3.
What is the molecular weight of Barbituric Acid?
The molecular weight of Barbituric Acid is 128.02219 g/mol.
What are the applications of Barbituric Acid?
Barbituric Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Barbituric Acid?
You can request a quote for Barbituric Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barbituric Acid?
Yes, CoreyChem provides custom synthesis services for Barbituric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.