benzenesulfonic acid, decyl-, triethanolanine salt
TL;DR: benzenesulfonic acid, decyl-, triethanolanine salt (CAS 63990-90-9) is a chemical compound with molecular formula C22H41NO6S and molecular weight 447.27 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-decylbenzenesulfonic acid
Also Known As: Triethanolanine decylbenzenesulfonate, Benzenesulfonic acid, decyl-, triethanolanine salt, 2-[bis(2-hydroxyethyl)amino]ethanol; 2-decylbenzenesulfonic acid, 2-Decylbenzene-1-sulfonic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1), Benzenesulfonic acid, decyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
| Molecular Formula | C22H41NO6S |
|---|---|
| Molecular Weight | 447.27 g/mol |
| LogP | 2.8818 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 447.26547 |
| Heavy Atoms | 30 |
| Complexity | 609.54407 |
Chemical Identifiers
| CAS Number | 63990-90-9 |
|---|---|
| SMILES | CCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.C(CO)N(CCO)CCO |
Product Overview
benzenesulfonic acid, decyl-, triethanolanine salt (CAS 63990-90-9), with molecular formula C22H41NO6S and molecular weight 447.27 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;2-decylbenzenesulfonic acid.
Chemical Property Profile of benzenesulfonic acid, decyl-, triethanolanine salt
Property Insights of benzenesulfonic acid, decyl-, triethanolanine salt
The XLogP value of 2.8818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzenesulfonic acid, decyl-, triethanolanine salt. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for benzenesulfonic acid, decyl-, triethanolanine salt. Following Lipinski's Rule of Five, benzenesulfonic acid, decyl-, triethanolanine salt 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, decyl-, triethanolanine salt?
The CAS number of benzenesulfonic acid, decyl-, triethanolanine salt is 63990-90-9.
What is the molecular formula of benzenesulfonic acid, decyl-, triethanolanine salt?
The molecular formula of benzenesulfonic acid, decyl-, triethanolanine salt is C22H41NO6S.
What is the molecular weight of benzenesulfonic acid, decyl-, triethanolanine salt?
The molecular weight of benzenesulfonic acid, decyl-, triethanolanine salt is 447.27 g/mol.
Where can I buy benzenesulfonic acid, decyl-, triethanolanine salt?
You can request a quote for benzenesulfonic acid, decyl-, triethanolanine salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzenesulfonic acid, decyl-, triethanolanine salt?
Yes, KEHONG BIO provides custom synthesis services for benzenesulfonic acid, decyl-, triethanolanine salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.