1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane
TL;DR: 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane (CAS 824431-05-2) is a chemical compound with molecular formula C24H28N6O4S2 and molecular weight 528.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-3-[2-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)ethyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine
Also Known As: 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane, 6-methylsulfanyl-3-[2-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)ethyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine
| Molecular Formula | C24H28N6O4S2 |
|---|---|
| Molecular Weight | 528.16 g/mol |
| LogP | 4.1634 |
| Topological Polar Surface Area | 99.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.1613 |
| Heavy Atoms | 36 |
| Complexity | 1070.2114 |
Chemical Identifiers
| CAS Number | 824431-05-2 |
|---|---|
| SMILES | CSC1=C(CN(CN1C2=CC=CC=C2)CCN3CC(=C(N(C3)C4=CC=CC=C4)SC)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane (CAS 824431-05-2), with molecular formula C24H28N6O4S2 and molecular weight 528.16 g/mol. IUPAC: 6-methylsulfanyl-3-[2-(6-methylsulfanyl-5-nitro-1-phenyl-2,4-dihydropyrimidin-3-yl)ethyl]-5-nitro-1-phenyl-2,4-dihydropyrimidine.
Chemical Property Profile of 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane
Property Insights of 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane
The XLogP value of 4.1634 indicates that 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane. Following Lipinski's Rule of Five, 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane?
The CAS number of 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane is 824431-05-2.
What is the molecular formula of 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane?
The molecular formula of 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane is C24H28N6O4S2.
What is the molecular weight of 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane?
The molecular weight of 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane is 528.16 g/mol.
Where can I buy 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane?
You can request a quote for 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane?
Yes, KEHONG BIO provides custom synthesis services for 1,2-bis(4-(methylthio)-5-nitro-3-phenyl-3,6-dihydropyrimidin-1(2H)-yl)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.