Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate
TL;DR: Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate (CAS 3545-53-7) is a chemical compound with molecular formula C13H20N4O13S3 and molecular weight 536.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine;2,4,6-trinitrobenzenesulfonic acid
Also Known As: 2,2'-(Methylimino)diethanol bismethanesulfonate picrylsulfonate, 2,2'-Dimesyloxy-N-methyldiethylamine picrylsulfonate, Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate, 2,4,6-Trinitrobenzene-1-sulfonic acid--2-(methanesulfonyl)-N-[2-(methanesulfonyl)ethyl]-N-methylethan-1-amine (1/1), N-methyl-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine; 2,4,6-trinitrobenzenesulfonic acid
| Molecular Formula | C13H20N4O13S3 |
|---|---|
| Molecular Weight | 536.02 g/mol |
| LogP | -0.3347 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 536.0189 |
| Heavy Atoms | 33 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 3545-53-7 |
|---|---|
| SMILES | CN(CCS(=O)(=O)C)CCS(=O)(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MSZNDTILGJKSFM-UHFFFAOYSA-N |
Product Overview
Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate (CAS 3545-53-7), with molecular formula C13H20N4O13S3 and molecular weight 536.02 g/mol. IUPAC: N-methyl-2-methylsulfonyl-N-(2-methylsulfonylethyl)ethanamine;2,4,6-trinitrobenzenesulfonic acid.
Chemical Property Profile of Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate
Property Insights of Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate
The XLogP value of -0.3347 indicates that Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 288.0 Ų indicates high polarity, suggesting Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate?
The CAS number of Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate is 3545-53-7.
What is the molecular formula of Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate?
The molecular formula of Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate is C13H20N4O13S3.
What is the molecular weight of Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate?
The molecular weight of Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate is 536.02 g/mol.
Where can I buy Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate?
You can request a quote for Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2'-(methylimino)di-, bismethanesulfonate (ester), picrylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.