Oteracil
TL;DR: Oteracil (CAS 937-13-3) is a chemical compound with molecular formula C4H3N3O4 and molecular weight 157.01236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
Also Known As: Oxonic Acid, Oteracil, 5-azaorotic acid, Allantoxanic acid, oteracilo
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H3N3O4 |
| Molecular Weight | 157.01236 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.01236 Da |
| Heavy Atoms | 11 |
| Complexity | 269.0 |
| SMILES | C1(=NC(=O)NC(=O)N1)C(=O)O |
| InChIKey | RYYCJUAHISIHTL-UHFFFAOYSA-N |
Product Description
Applications: Oteracil 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).
Oteracil (CAS 937-13-3) is a pharmaceutical intermediate with the molecular formula C4H3N3O4 and a molecular weight of 157.01 g/mol. Synonyms include Oxonic Acid and Oteracil.
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 Oteracil
Property Insights of Oteracil
The XLogP value of -1.0 indicates that Oteracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oteracil. Following Lipinski's Rule of Five, Oteracil has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Oteracil?
The CAS number of Oteracil is 937-13-3.
What is the molecular formula of Oteracil?
The molecular formula of Oteracil is C4H3N3O4.
What is the molecular weight of Oteracil?
The molecular weight of Oteracil is 157.01236 g/mol.
What are the applications of Oteracil?
Oteracil 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 Oteracil?
You can request a quote for Oteracil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oteracil?
Yes, CoreyChem provides custom synthesis services for Oteracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.