2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl-
TL;DR: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl- (CAS 100849-45-4) is a chemical compound with molecular formula C12H20N2O3S2 and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-1,3-bis(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl-, Barbituric acid, 1,3-bis(methylthiomethyl)-5,5-diethyl-, 5,5-diethyl-1,3-bis(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione, 1,3-Bis((methylthio)methyl)-5,5-diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-diethyl-1,3-bis[(methylthio)methyl]-
| Molecular Formula | C12H20N2O3S2 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.2246 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 304.09152 |
| Heavy Atoms | 19 |
| Complexity | 353.17078 |
Chemical Identifiers
| CAS Number | 100849-45-4 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)N(C1=O)CSC)CSC)CC |
Product Overview
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl- (CAS 100849-45-4), with molecular formula C12H20N2O3S2 and molecular weight 304.09 g/mol. IUPAC: 5,5-diethyl-1,3-bis(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl-
Property Insights of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl-
The XLogP value of 2.2246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl-. With a topological polar surface area (TPSA) of 57.69 Ų, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl- 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, 1,3-bis((methylthio)methyl)-5,5-diethyl-?
The CAS number of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl- is 100849-45-4.
What is the molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl-?
The molecular formula of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl- is C12H20N2O3S2.
What is the molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl-?
The molecular weight of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl- is 304.09 g/mol.
Where can I buy 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl-?
You can request a quote for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl- 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, 1,3-bis((methylthio)methyl)-5,5-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-bis((methylthio)methyl)-5,5-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.