2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-
TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl- (CAS 100849-50-1) is a chemical compound with molecular formula C16H20N2O3S2 and molecular weight 352.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1,3-bis(methylsulfanylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-, Barbituric acid, 1,3-bis(methylthiomethyl)-5-ethyl-5-phenyl-, 5-Ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-Ethyl-1,3-bis(methylthiomethyl)-5-phenyl-2,4,6-pyrimidinetrione, 5-ethyl-1,3-bis(methylsulfanylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C16H20N2O3S2 |
|---|---|
| Molecular Weight | 352.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.09152 |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 100849-50-1 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CSC)CSC)C2=CC=CC=C2 |
| InChIKey | XVOKCQVRDWDTRD-UHFFFAOYSA-N |
Product Overview
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl- (CAS 100849-50-1), with molecular formula C16H20N2O3S2 and molecular weight 352.09 g/mol. IUPAC: 5-ethyl-1,3-bis(methylsulfanylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-
Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-
The XLogP value of 3.1 indicates that 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl- has 0 hydrogen bond donor(s) and 5 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 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-?
The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl- is 100849-50-1.
What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-?
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl- is C16H20N2O3S2.
What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-?
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl- is 352.09 g/mol.
Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-?
You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.