Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride
TL;DR: Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride (CAS 22907-49-9) is a chemical compound with molecular formula C11H24Cl2N2O4S2 and molecular weight 382.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-azaniumylethylsulfanyl)-1,3-diethoxy-1,3-dioxopropan-2-yl]sulfanylethylazanium dichloride
Also Known As: Diethyl bis(2-aminoethylthio)malonate dihydrochloride, MALONIC ACID, BIS((2-AMINOETHYL)THIO)-, DIETHYL ESTER, DIHYDROCHLORIDE, 2-[2-(2-azaniumylethylsulfanyl)-1,3-diethoxy-1,3-dioxopropan-2-yl]sulfanylethylazanium dichloride, RefChem:351840
| Molecular Formula | C11H24Cl2N2O4S2 |
|---|---|
| Molecular Weight | 382.06 g/mol |
| LogP | -7.23 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 382.05545 |
| Heavy Atoms | 21 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 22907-49-9 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)(SCC[NH3+])SCC[NH3+].[Cl-].[Cl-] |
| InChIKey | CXIJSNPYXKMAPK-UHFFFAOYSA-N |
Product Overview
Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride (CAS 22907-49-9), with molecular formula C11H24Cl2N2O4S2 and molecular weight 382.06 g/mol. IUPAC: 2-[2-(2-azaniumylethylsulfanyl)-1,3-diethoxy-1,3-dioxopropan-2-yl]sulfanylethylazanium dichloride.
Chemical Property Profile of Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride
Property Insights of Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride
The XLogP value of -7.23 indicates that Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride has 2 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 Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride?
The CAS number of Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride is 22907-49-9.
What is the molecular formula of Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride?
The molecular formula of Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride is C11H24Cl2N2O4S2.
What is the molecular weight of Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride?
The molecular weight of Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride is 382.06 g/mol.
Where can I buy Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride?
You can request a quote for Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid, bis((2-aminoethyl)thio)-, diethyl ester, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.