Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
TL;DR: Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1) (CAS 61886-59-7) is a chemical compound with molecular formula C25H46NO6S- and molecular weight 488.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;2-tridecylbenzenesulfonate
Also Known As: TEA-Tridecylbenzenesulfonate, Triethanolamine tridecylbenzenesulfonate, EINECS 263-296-2, 2-[bis(2-hydroxyethyl)amino]ethanol,tridecyl benzenesulfonate, Tridecylbenzenesulfonic acid, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
| Molecular Formula | C25H46NO6S- |
|---|---|
| Molecular Weight | 488.30 g/mol |
| LogP | 3.7095 |
| Topological Polar Surface Area | 121.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 488.3046 |
| Heavy Atoms | 33 |
| Complexity | 654.35126 |
Chemical Identifiers
| CAS Number | 61886-59-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].C(CO)N(CCO)CCO |
Product Overview
Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1) (CAS 61886-59-7), with molecular formula C25H46NO6S- and molecular weight 488.30 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-tridecylbenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
Property Insights of Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
The XLogP value of 3.7095 indicates that Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1). Following Lipinski's Rule of Five, Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1) has 3 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 Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)?
The CAS number of Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1) is 61886-59-7.
What is the molecular formula of Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)?
The molecular formula of Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1) is C25H46NO6S-.
What is the molecular weight of Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)?
The molecular weight of Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1) is 488.30 g/mol.
Where can I buy Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)?
You can request a quote for Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(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, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, tridecyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.