5-Carbethoxyuracil
TL;DR: 5-Carbethoxyuracil (CAS 28485-17-8) 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-5-carboxylate
Also Known As: 5-Carbethoxyuracil, simvastatin, Isoorotic acid ethyl ester, Ethyl uracil-5-carboxylate, ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
| 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 | 28485-17-8 |
|---|---|
| SMILES | CCOC(=O)C1=CNC(=O)NC1=O |
| InChIKey | MKNYHTGOVKPZMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Carbethoxyuracil (CAS 28485-17-8), with molecular formula C7H8N2O4 and molecular weight 184.05 g/mol. IUPAC: ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of 5-Carbethoxyuracil
Property Insights of 5-Carbethoxyuracil
The XLogP value of -0.5 indicates that 5-Carbethoxyuracil 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 5-Carbethoxyuracil. Following Lipinski's Rule of Five, 5-Carbethoxyuracil 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 5-Carbethoxyuracil?
The CAS number of 5-Carbethoxyuracil is 28485-17-8.
What is the molecular formula of 5-Carbethoxyuracil?
The molecular formula of 5-Carbethoxyuracil is C7H8N2O4.
What is the molecular weight of 5-Carbethoxyuracil?
The molecular weight of 5-Carbethoxyuracil is 184.05 g/mol.
Where can I buy 5-Carbethoxyuracil?
You can request a quote for 5-Carbethoxyuracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Carbethoxyuracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Carbethoxyuracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.