Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride
TL;DR: Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride (CAS 61556-87-4) is a chemical compound with molecular formula C12H28ClNO6S2 and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-butylsulfonyloxyethyl)azanium chloride
Also Known As: 2,2'-Iminodiethanol dibutanesulfonate hydrochloride, bis(2-butylsulfonyloxyethyl)azanium chloride, ETHANOL, 2,2'-IMINODI-, DIBUTANESULFONATE (ester), HYDROCHLORIDE, RefChem:1084447
| Molecular Formula | C12H28ClNO6S2 |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | -3.15 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 381.10464 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 61556-87-4 |
|---|---|
| SMILES | CCCCS(=O)(=O)OCC[NH2+]CCOS(=O)(=O)CCCC.[Cl-] |
| InChIKey | YENVYWUSROCXEQ-UHFFFAOYSA-N |
Product Overview
Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride (CAS 61556-87-4), with molecular formula C12H28ClNO6S2 and molecular weight 381.10 g/mol. IUPAC: bis(2-butylsulfonyloxyethyl)azanium chloride.
Chemical Property Profile of Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride
Property Insights of Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride
The XLogP value of -3.15 indicates that Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride. Following Lipinski's Rule of Five, Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride has 1 hydrogen bond donor(s) and 7 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 Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride?
The CAS number of Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride is 61556-87-4.
What is the molecular formula of Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride?
The molecular formula of Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride is C12H28ClNO6S2.
What is the molecular weight of Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride?
The molecular weight of Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride is 381.10 g/mol.
Where can I buy Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride?
You can request a quote for Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride 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'-iminodi-, dibutanesulfonate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2'-iminodi-, dibutanesulfonate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.