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Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate
TL;DR: Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate (CAS 112498-42-7) is a chemical compound with molecular formula C13H18N2O4S2 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanyl-6-methylpyrimidin-4-yl]sulfanylacetate
Also Known As: diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate, ethyl 2-{2-[(ethoxycarbonyl)methylthio]-6-methylpyrimidin-4-ylthio}acetate, ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanyl-6-methylpyrimidin-4-yl]sulfanylacetate
| Molecular Formula | C13H18N2O4S2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 2.09542 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 330.0708 |
| Heavy Atoms | 21 |
| Complexity | 456.80963 |
Chemical Identifiers
| CAS Number | 112498-42-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=NC(=C1)C)SCC(=O)OCC |
Product Overview
Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate (CAS 112498-42-7), with molecular formula C13H18N2O4S2 and molecular weight 330.07 g/mol. IUPAC: ethyl 2-[2-(2-ethoxy-2-oxoethyl)sulfanyl-6-methylpyrimidin-4-yl]sulfanylacetate.
Chemical Property Profile of Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate
Property Insights of Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate
The XLogP value of 2.09542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate. Following Lipinski's Rule of Five, Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate has 0 hydrogen bond donor(s) and 8 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 Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate?
The CAS number of Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate is 112498-42-7.
What is the molecular formula of Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate?
The molecular formula of Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate is C13H18N2O4S2.
What is the molecular weight of Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate?
The molecular weight of Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate is 330.07 g/mol.
Where can I buy Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate?
You can request a quote for Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-[(6-methylpyrimidine-2,4-diyl)disulfanediyl]diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.