RefChem:167617
TL;DR: RefChem:167617 (CAS 67953-11-1) is a chemical compound with molecular formula C25H53NO8S and molecular weight 527.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylamino)ethanol;propyl 10-sulfooxyoctadecanoate
Also Known As: S-3,7-Dimethyl-1-octanol, Propyl oleate, sulfated, diethanolamine salt, Propyl 10-(sulfooxy)stearate diethanolamine salt, propyl 10-(sulfooxy)octadecanoate- 2,2'-iminodiethanol(1:1), Octadecanoic acid, 10-(sulfooxy)-, 1-propyl ester, compd. with 2,2'-iminobis(ethanol) (1:1)
| Molecular Formula | C25H53NO8S |
|---|---|
| Molecular Weight | 527.35 g/mol |
| LogP | 4.56 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 25 |
| Exact Mass | 527.3492 |
| Heavy Atoms | 35 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 67953-11-1 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCCCCC(=O)OCCC)OS(=O)(=O)O.C(CO)NCCO |
| InChIKey | GGERMULJXFPDIG-UHFFFAOYSA-N |
Product Overview
RefChem:167617 (CAS 67953-11-1), with molecular formula C25H53NO8S and molecular weight 527.35 g/mol. IUPAC: 2-(2-hydroxyethylamino)ethanol;propyl 10-sulfooxyoctadecanoate.
Chemical Property Profile of RefChem:167617
Property Insights of RefChem:167617
The XLogP value of 4.56 indicates that RefChem:167617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting RefChem:167617 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:167617 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:167617?
The CAS number of RefChem:167617 is 67953-11-1.
What is the molecular formula of RefChem:167617?
The molecular formula of RefChem:167617 is C25H53NO8S.
What is the molecular weight of RefChem:167617?
The molecular weight of RefChem:167617 is 527.35 g/mol.
Where can I buy RefChem:167617?
You can request a quote for RefChem:167617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:167617?
Yes, KEHONG BIO provides custom synthesis services for RefChem:167617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.