5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one
TL;DR: 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one (CAS 66968-84-1) is a chemical compound with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-hept-2-en-2-yl-1,3-diazinane-2,4,6-trione
Also Known As: 5-Ethyl-5-(1-methyl-1-hexenyl)barbituric acid, 4-24-00-02025 (Beilstein Handbook Reference), BARBITURIC ACID, 5-ETHYL-5-(1-METHYL-1-HEXENYL)-, 5-ethyl-5-hept-2-en-2-yl-1,3-diazinane-2,4,6-trione, 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one
| Molecular Formula | C13H20N2O3 |
|---|---|
| Molecular Weight | 252.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.1474 |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 66968-84-1 |
|---|---|
| SMILES | CCCCC=C(C)C1(C(=O)NC(=O)NC1=O)CC |
| InChIKey | GJOCLSJUDIOLBL-UHFFFAOYSA-N |
Product Overview
5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one (CAS 66968-84-1), with molecular formula C13H20N2O3 and molecular weight 252.15 g/mol. IUPAC: 5-ethyl-5-hept-2-en-2-yl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one
Property Insights of 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one. Following Lipinski's Rule of Five, 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one 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
Frequently Asked Questions
What is the CAS number of 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one?
The CAS number of 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one is 66968-84-1.
What is the molecular formula of 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one?
The molecular formula of 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one is C13H20N2O3.
What is the molecular weight of 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one?
The molecular weight of 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one is 252.15 g/mol.
Where can I buy 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one?
You can request a quote for 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-5-(hept-2-en-2-yl)-4,6-dihydroxypyrimidin-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.