奥替拉西
TL;DR: 奥替拉西 (CAS 937-13-3) is a chemical compound with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥替拉西
4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid
Also Known As: Oxonic Acid, Oteracil, 5-azaorotic acid, Allantoxanic acid, oteracilo
| Molecular Formula | C4H3N3O4 |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.01236 |
| Heavy Atoms | 11 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 937-13-3 |
|---|---|
| SMILES | C1(=NC(=O)NC(=O)N1)C(=O)O |
| InChIKey | RYYCJUAHISIHTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥替拉西 (CAS 937-13-3), with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol. IUPAC: 4,6-dioxo-1H-1,3,5-triazine-2-carboxylic acid.
Chemical Property Profile of 奥替拉西
Property Insights of 奥替拉西
The XLogP value of -1.0 indicates that 奥替拉西 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 奥替拉西. 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
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 157.01 g/mol.
Where can I buy Oteracil?
You can request a quote for Oteracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oteracil?
Yes, KEHONG BIO provides custom synthesis services for Oteracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.