5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 77-30-5) is a chemical compound with molecular formula C12H20N2O3 and molecular weight 240.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-5-hexyl-1,3-diazinane-2,4,6-trione
Also Known As: Ortal, HEXETHAL, Ortol, Hexethal (VAN), Ortol (VAN)
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20N2O3 |
| Molecular Weight | 240.1474 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.1474 Da |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
| SMILES | CCCCCCC1(C(=O)NC(=O)NC1=O)CC |
| InChIKey | PSTVHRSUNBSVIJ-UHFFFAOYSA-N |
Product Description
Applications: 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione 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).
5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 77-30-5) is a pharmaceutical intermediate with the molecular formula C12H20N2O3 and a molecular weight of 240.15 g/mol. Synonyms include Ortal and HEXETHAL.
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 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 77-30-5.
What is the molecular formula of 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione is C12H20N2O3.
What is the molecular weight of 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione is 240.1474 g/mol.
What are the applications of 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione 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...
Where can I buy 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, CoreyChem provides custom synthesis services for 5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.