1-Octadecyl-1,3-diazinane-2,4,6-trione
TL;DR: 1-Octadecyl-1,3-diazinane-2,4,6-trione (CAS 79333-13-4) is a chemical compound with molecular formula C22H40N2O3 and molecular weight 380.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-octadecyl-1,3-diazinane-2,4,6-trione
Also Known As: 1-Octadecylbarbituric acid, 1-octadecyl-1,3-diazinane-2,4,6-trione, 1-octadecylpyrimidine-2,4,6(1H,3H,5H)-trione, 1-octadecyl-1,3,5-trihydropyrimidine-2,4,6-trione, 1-Octadecyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
| Molecular Formula | C22H40N2O3 |
|---|---|
| Molecular Weight | 380.30 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 380.3039 |
| Heavy Atoms | 27 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 79333-13-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1C(=O)CC(=O)NC1=O |
| InChIKey | HILVXHXQAMOFJV-UHFFFAOYSA-N |
Product Overview
1-Octadecyl-1,3-diazinane-2,4,6-trione (CAS 79333-13-4), with molecular formula C22H40N2O3 and molecular weight 380.30 g/mol. IUPAC: 1-octadecyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-Octadecyl-1,3-diazinane-2,4,6-trione
Property Insights of 1-Octadecyl-1,3-diazinane-2,4,6-trione
The XLogP value of 7.9 indicates that 1-Octadecyl-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Octadecyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-Octadecyl-1,3-diazinane-2,4,6-trione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Octadecyl-1,3-diazinane-2,4,6-trione?
The CAS number of 1-Octadecyl-1,3-diazinane-2,4,6-trione is 79333-13-4.
What is the molecular formula of 1-Octadecyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 1-Octadecyl-1,3-diazinane-2,4,6-trione is C22H40N2O3.
What is the molecular weight of 1-Octadecyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 1-Octadecyl-1,3-diazinane-2,4,6-trione is 380.30 g/mol.
Where can I buy 1-Octadecyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 1-Octadecyl-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 1-Octadecyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-Octadecyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.