Somnifen
TL;DR: Somnifen (CAS 8003-99-4) is a chemical compound with molecular formula C18H26N4O6 and molecular weight 394.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1,3-diazinane-2,4,6-trione;5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: Somnifen, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-, mixt. with 5-(1-methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5,5-Diethyl-1,3-diazinane-2,4,6-trione--5-(propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione (1/1), 5,5-diethyl-1,3-diazinane-2,4,6-trione; 5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, RefChem:380794
| Molecular Formula | C18H26N4O6 |
|---|---|
| Molecular Weight | 394.19 g/mol |
| LogP | 0.7297 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.18524 |
| Heavy Atoms | 28 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 8003-99-4 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CC.CC(C)C1(C(=O)NC(=O)NC1=O)CC=C |
| InChIKey | KCHUVCJKGPBHEI-UHFFFAOYSA-N |
Product Overview
Somnifen (CAS 8003-99-4), with molecular formula C18H26N4O6 and molecular weight 394.19 g/mol. IUPAC: 5,5-diethyl-1,3-diazinane-2,4,6-trione;5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of Somnifen
Property Insights of Somnifen
The XLogP value of 0.7297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Somnifen. The TPSA of 151.0 Ų indicates high polarity, suggesting Somnifen may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Somnifen has 4 hydrogen bond donor(s) and 6 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 Somnifen?
The CAS number of Somnifen is 8003-99-4.
What is the molecular formula of Somnifen?
The molecular formula of Somnifen is C18H26N4O6.
What is the molecular weight of Somnifen?
The molecular weight of Somnifen is 394.19 g/mol.
Where can I buy Somnifen?
You can request a quote for Somnifen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Somnifen?
Yes, KEHONG BIO provides custom synthesis services for Somnifen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.