Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)
TL;DR: Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1) (CAS 52243-33-1) is a chemical compound with molecular formula C13H23NO6S and molecular weight 321.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;4-methylbenzenesulfonic acid
Also Known As: 2,2',2''-Nitrilotris(ethanol), Triethanolamine, p-toluenesulfonate (salt), 2,2',2''-Nitrilotris[ethanol], p-Toluenesulfonic acid, triethanolammonium salt, Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (salt)
| Molecular Formula | C13H23NO6S |
|---|---|
| Molecular Weight | 321.12 g/mol |
| LogP | -0.49298 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.1246 |
| Heavy Atoms | 21 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 52243-33-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C(CO)N(CCO)CCO |
| InChIKey | NBPZRGJUSCQACJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1) (CAS 52243-33-1), with molecular formula C13H23NO6S and molecular weight 321.12 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;4-methylbenzenesulfonic acid.
Chemical Property Profile of Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)
Property Insights of Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)
The XLogP value of -0.49298 indicates that Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1) has 4 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',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)?
The CAS number of Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1) is 52243-33-1.
What is the molecular formula of Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1) is C13H23NO6S.
What is the molecular weight of Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1) is 321.12 g/mol.
Where can I buy Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1) 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',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2',2''-nitrilotris-, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.