2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl-
TL;DR: 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl- (CAS 105916-31-2) is a chemical compound with molecular formula C11H18N2O2S and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-5,5-dipropylpyrimidine-2,4-dione
Also Known As: 5,5-Dipropyl-4-methylthio barbituric acid, 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl-, 6-methylsulfanyl-5,5-dipropylpyrimidine-2,4-dione, Pyrimidine-2,4(3H,5H)-dione, 6-methylthio-5,5-dipropyl-, 6-(Methylsulfanyl)-5,5-dipropylpyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C11H18N2O2S |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.1089 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 105916-31-2 |
|---|---|
| SMILES | CCCC1(C(=O)NC(=O)N=C1SC)CCC |
| InChIKey | XLBWBLSQASDXLX-UHFFFAOYSA-N |
Product Overview
2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl- (CAS 105916-31-2), with molecular formula C11H18N2O2S and molecular weight 242.11 g/mol. IUPAC: 6-methylsulfanyl-5,5-dipropylpyrimidine-2,4-dione.
Chemical Property Profile of 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl-
Property Insights of 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl-. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl-. Following Lipinski's Rule of Five, 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl- 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, 6-(methylthio)-5,5-dipropyl-?
The CAS number of 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl- is 105916-31-2.
What is the molecular formula of 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl-?
The molecular formula of 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl- is C11H18N2O2S.
What is the molecular weight of 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl-?
The molecular weight of 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl- is 242.11 g/mol.
Where can I buy 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl-?
You can request a quote for 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl- 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, 6-(methylthio)-5,5-dipropyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(3H,5H)-Pyrimidinedione, 6-(methylthio)-5,5-dipropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.