5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione
TL;DR: 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione (CAS 100849-47-6) is a chemical compound with molecular formula C14H20N2O3S2 and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(methylsulfanylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione, 5,5-diallyl-1,3-di-(methylthiomethyl)-2,4,6-pyrimidinetrione, 5,5-Diallyl-1,3-bis-methylsulfanylmethyl-pyrimidine-2,4,6-trione, 1,3-bis(methylsulfanylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione, 5,5-Diallyl-1,3-bis[(methylsulfanyl)methyl]-2,4,6(1H,3H,5H)-pyrimidinetrione #
| Molecular Formula | C14H20N2O3S2 |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.09152 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 100849-47-6 |
|---|---|
| SMILES | CSCN1C(=O)C(C(=O)N(C1=O)CSC)(CC=C)CC=C |
| InChIKey | WZYPGBAEWCBUQW-UHFFFAOYSA-N |
Product Overview
5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione (CAS 100849-47-6), with molecular formula C14H20N2O3S2 and molecular weight 328.09 g/mol. IUPAC: 1,3-bis(methylsulfanylmethyl)-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione
Property Insights of 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione. Following Lipinski's Rule of Five, 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione 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 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione?
The CAS number of 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione is 100849-47-6.
What is the molecular formula of 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione?
The molecular formula of 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione is C14H20N2O3S2.
What is the molecular weight of 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione?
The molecular weight of 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione is 328.09 g/mol.
Where can I buy 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione?
You can request a quote for 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Diallyl-1,3-bis(methylthiomethyl)-2,4,6-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.