Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)
TL;DR: Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 68259-34-7) is a chemical compound with molecular formula C21H39NO5S and molecular weight 417.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylamino)ethanol;2-undecylbenzenesulfonic acid
Also Known As: Undecylbenzenesulfonic acid, diethanolamine salt, Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis[ethanol] (1:1), Undecylbenzenesulphonic acid, compound with 2,2'-iminodiethanol (1:1), Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1), 2-(2-hydroxyethylamino)ethanol; 2-undecylbenzenesulfonic acid
| Molecular Formula | C21H39NO5S |
|---|---|
| Molecular Weight | 417.25 g/mol |
| LogP | 3.5672 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 417.25488 |
| Heavy Atoms | 28 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 68259-34-7 |
|---|---|
| SMILES | CCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.C(CO)NCCO |
| InChIKey | KLDKMDIYRYNBBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) (CAS 68259-34-7), with molecular formula C21H39NO5S and molecular weight 417.25 g/mol. IUPAC: 2-(2-hydroxyethylamino)ethanol;2-undecylbenzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)
Property Insights of Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)
The XLogP value of 3.5672 indicates that Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1). Following Lipinski's Rule of Five, Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) has 4 hydrogen bond donor(s) and 6 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 Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The CAS number of Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) is 68259-34-7.
What is the molecular formula of Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular formula of Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) is C21H39NO5S.
What is the molecular weight of Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
The molecular weight of Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) is 417.25 g/mol.
Where can I buy Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
You can request a quote for Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, undecyl-, compd. with 2,2'-iminobis(ethanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.