Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate
TL;DR: Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate (CAS 62880-79-9) is a chemical compound with molecular formula C12H18N2O5 and molecular weight 270.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)butanoate
Also Known As: ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate, ethyl 2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)butanoate
| Molecular Formula | C12H18N2O5 |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.12158 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 62880-79-9 |
|---|---|
| SMILES | CCC(C(=O)OCC)C1(C(=O)NC(=O)NC1=O)CC |
| InChIKey | VYXWLHFPMWRMKP-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate (CAS 62880-79-9), with molecular formula C12H18N2O5 and molecular weight 270.12 g/mol. IUPAC: ethyl 2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)butanoate.
Chemical Property Profile of Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate
Property Insights of Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate. Following Lipinski's Rule of Five, Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate has 2 hydrogen bond donor(s) and 5 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 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate?
The CAS number of Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate is 62880-79-9.
What is the molecular formula of Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate?
The molecular formula of Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate is C12H18N2O5.
What is the molecular weight of Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate?
The molecular weight of Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate is 270.12 g/mol.
Where can I buy Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate?
You can request a quote for Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.