RefChem:76761
TL;DR: RefChem:76761 (CAS 58767-50-3) is a chemical compound with molecular formula C20H37NO5S and molecular weight 403.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxyethyl)-methyl-octylazanium;4-methylbenzenesulfonate
Also Known As: Bis(2-hydroxyethyl)methyloctylammonium toluene-p-sulphonate, Bis(2-hydroxyethyl)octylmethylammonium, p-toluenesulfonate, 1-Octanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, salt with 4-methylbenzenesulfonic acid (1:1), n,n-bis(2-hydroxyethyl)-n-methyloctan-1-aminium 4-methylbenzenesulfonate, 1-Octanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, 4-methylbenzenesulfonate (1:1)
| Molecular Formula | C20H37NO5S |
|---|---|
| Molecular Weight | 403.24 g/mol |
| LogP | 2.68 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 403.23926 |
| Heavy Atoms | 27 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 58767-50-3 |
|---|---|
| SMILES | CCCCCCCC[N+](C)(CCO)CCO.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | YLHNNWUZOGHCSP-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:76761 (CAS 58767-50-3), with molecular formula C20H37NO5S and molecular weight 403.24 g/mol. IUPAC: bis(2-hydroxyethyl)-methyl-octylazanium;4-methylbenzenesulfonate.
Chemical Property Profile of RefChem:76761
Property Insights of RefChem:76761
The XLogP value of 2.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:76761. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:76761. Following Lipinski's Rule of Five, RefChem:76761 has 2 hydrogen bond donor(s) and 5 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 RefChem:76761?
The CAS number of RefChem:76761 is 58767-50-3.
What is the molecular formula of RefChem:76761?
The molecular formula of RefChem:76761 is C20H37NO5S.
What is the molecular weight of RefChem:76761?
The molecular weight of RefChem:76761 is 403.24 g/mol.
Where can I buy RefChem:76761?
You can request a quote for RefChem:76761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:76761?
Yes, KEHONG BIO provides custom synthesis services for RefChem:76761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.