5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione (CAS 25943-50-4) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione, 5-(1-methyl-butyl)-5-prop-2-ynyl-barbituric acid, 5-(pentan-2-yl)-5-(prop-2-yn-1-yl)pyrimidine-2,4,6(1h,3h,5h)-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-5-(2-propyn-1-yl)-, 5-(PENTAN-2-YL)-5-(PROP-2-YN-1-YL)-1,3-DIAZINANE-2,4,6-TRIONE
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 25943-50-4 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=O)NC1=O)CC#C |
| InChIKey | MVFRVEXMCTWUGE-UHFFFAOYSA-N |
Product Overview
5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione (CAS 25943-50-4), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: 5-pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione 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-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione is 25943-50-4.
What is the molecular formula of 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione is C12H16N2O3.
What is the molecular weight of 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione is 236.12 g/mol.
Where can I buy 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-Pentan-2-yl-5-prop-2-ynyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.