2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-
TL;DR: 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)- (CAS 65350-89-2) is a chemical compound with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-6-methylsulfanylpyrimidine-2,4-dione
Also Known As: 4-Methylthio-5,5-diethylbarbituric acid, 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-, 5,5-diethyl-6-methylsulfanylpyrimidine-2,4-dione, 5-25-02-00505 (Beilstein Handbook Reference), 5,5-diethyl-6-(methylthio)-2,4(3H,5H)-pyrimidinedione
| Molecular Formula | C9H14N2O2S |
|---|---|
| Molecular Weight | 214.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.0776 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 65350-89-2 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)N=C1SC)CC |
| InChIKey | DMFVKPUUKDJRLS-UHFFFAOYSA-N |
Product Overview
2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)- (CAS 65350-89-2), with molecular formula C9H14N2O2S and molecular weight 214.08 g/mol. IUPAC: 5,5-diethyl-6-methylsulfanylpyrimidine-2,4-dione.
Chemical Property Profile of 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-
Property Insights of 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-. Following Lipinski's Rule of Five, 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)- has 1 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 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-?
The CAS number of 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)- is 65350-89-2.
What is the molecular formula of 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-?
The molecular formula of 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)- is C9H14N2O2S.
What is the molecular weight of 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-?
The molecular weight of 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)- is 214.08 g/mol.
Where can I buy 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-?
You can request a quote for 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(3H,5H)-Pyrimidinedione, 5,5-diethyl-6-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.