2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate
TL;DR: 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate (CAS 3545-54-8) is a chemical compound with molecular formula C15H24N4O13S3 and molecular weight 564.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-methylsulfonyl-N-(2-methylsulfonylpropyl)propan-1-amine;2,4,6-trinitrobenzenesulfonic acid
Also Known As: 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate, 2-Propanol, 1,1'-(methylimino)di-, bismethanesulfonate (ester), 2,4,6- trinitrobenzenesulfonate, 2,4,6-Trinitrobenzene-1-sulfonic acid--2-(methanesulfonyl)-N-[2-(methanesulfonyl)propyl]-N-methylpropan-1-amine (1/1), 2-Propanol, 1,1'-(methylimino)di-, bismethanesulfonate (ester), 2,4,6-trinitrobenzenesulfonate, N-methyl-2-methylsulfonyl-N-(2-methylsulfonylpropyl)propan-1-amine; 2,4,6-trinitrobenzenesulfonic acid
| Molecular Formula | C15H24N4O13S3 |
|---|---|
| Molecular Weight | 564.05 g/mol |
| LogP | 0.4423 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 564.0502 |
| Heavy Atoms | 35 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 3545-54-8 |
|---|---|
| SMILES | CC(CN(C)CC(C)S(=O)(=O)C)S(=O)(=O)C.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JVMRCYCINLLEGF-UHFFFAOYSA-N |
Product Overview
2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate (CAS 3545-54-8), with molecular formula C15H24N4O13S3 and molecular weight 564.05 g/mol. IUPAC: N-methyl-2-methylsulfonyl-N-(2-methylsulfonylpropyl)propan-1-amine;2,4,6-trinitrobenzenesulfonic acid.
Chemical Property Profile of 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate
Property Insights of 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate
The XLogP value of 0.4423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate. The TPSA of 288.0 Ų indicates high polarity, suggesting 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2'-Dimesyloxy-N-methyldipropylamine 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 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate?
The CAS number of 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate is 3545-54-8.
What is the molecular formula of 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate?
The molecular formula of 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate is C15H24N4O13S3.
What is the molecular weight of 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate?
The molecular weight of 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate is 564.05 g/mol.
Where can I buy 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate?
You can request a quote for 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Dimesyloxy-N-methyldipropylamine picrylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.