Ethyl orotate
TL;DR: Ethyl orotate (CAS 1747-53-1) is a chemical compound with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
Also Known As: Ethyl orotate, Orotic acid ethyl ester, Ethyl 2,6-dihydroxypyrimidine-4-carboxylate, Orotic acid, ethyl ester, Orotic acid ethyl ester [MI]
| Molecular Formula | C7H8N2O4 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.0484 |
| Heavy Atoms | 13 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 1747-53-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)NC(=O)N1 |
| InChIKey | OQIITSDYUWKGGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl orotate (CAS 1747-53-1), with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol. IUPAC: ethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl orotate
Property Insights of Ethyl orotate
The XLogP value of -0.5 indicates that Ethyl orotate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl orotate. Following Lipinski's Rule of Five, Ethyl orotate has 2 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 Ethyl orotate?
The CAS number of Ethyl orotate is 1747-53-1.
What is the molecular formula of Ethyl orotate?
The molecular formula of Ethyl orotate is C7H8N2O4.
What is the molecular weight of Ethyl orotate?
The molecular weight of Ethyl orotate is 184.05 g/mol.
Where can I buy Ethyl orotate?
You can request a quote for Ethyl orotate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl orotate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl orotate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.