RefChem:197097
TL;DR: RefChem:197097 (CAS 108797-85-9) is a chemical compound with molecular formula C16H35NO6S and molecular weight 369.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate
Also Known As: 2-Ethylhexylether hydroxypropyl sultaine, 3-((2-Ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-1-propanaminium, 3-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate, 1-Propanaminium, 3-((2-ethylhexyl)oxy)-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt, 1-Propanaminium, 3-[(2-ethylhexyl)oxy]-2-hydroxy-N-(2-hydroxy-3-sulfopropyl)-N,N-dimethyl-, inner salt
| Molecular Formula | C16H35NO6S |
|---|---|
| Molecular Weight | 369.22 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 369.2185 |
| Heavy Atoms | 24 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 108797-85-9 |
|---|---|
| SMILES | CCCCC(CC)COCC(C[N+](C)(C)CC(CS(=O)(=O)[O-])O)O |
| InChIKey | FAWBMRXIDCEGBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:197097 (CAS 108797-85-9), with molecular formula C16H35NO6S and molecular weight 369.22 g/mol. IUPAC: 3-[[3-(2-ethylhexoxy)-2-hydroxypropyl]-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate.
Chemical Property Profile of RefChem:197097
Property Insights of RefChem:197097
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:197097. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:197097. Following Lipinski's Rule of Five, RefChem:197097 has 2 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 RefChem:197097?
The CAS number of RefChem:197097 is 108797-85-9.
What is the molecular formula of RefChem:197097?
The molecular formula of RefChem:197097 is C16H35NO6S.
What is the molecular weight of RefChem:197097?
The molecular weight of RefChem:197097 is 369.22 g/mol.
Where can I buy RefChem:197097?
You can request a quote for RefChem:197097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:197097?
Yes, KEHONG BIO provides custom synthesis services for RefChem:197097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.