RefChem:79821
TL;DR: RefChem:79821 (CAS 68140-93-2) is a chemical compound with molecular formula C26H52N2O5S and molecular weight 504.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol;ethyl sulfate
Also Known As: EINECS 268-817-7, 1-Hydroxyethyl-2-heptadecenylimidazoline diethyl sulfate, 1H-Imidazolium, 1-ethyl-2-(heptadecen-1-yl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (1:1), 1H-Imidazolium, 1-ethyl-2-(heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-, ethyl sulfate (salt), 1-Ethyl-2-(heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
| Molecular Formula | C26H52N2O5S |
|---|---|
| Molecular Weight | 504.36 g/mol |
| LogP | 5.2458 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 504.35968 |
| Heavy Atoms | 34 |
| Complexity | 635.10223 |
Chemical Identifiers
| CAS Number | 68140-93-2 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC1=[N+](CCN1CC)CCO.CCOS(=O)(=O)[O-] |
Product Overview
RefChem:79821 (CAS 68140-93-2), with molecular formula C26H52N2O5S and molecular weight 504.36 g/mol. IUPAC: 2-[3-ethyl-2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol;ethyl sulfate.
Chemical Property Profile of RefChem:79821
Property Insights of RefChem:79821
The XLogP value of 5.2458 indicates that RefChem:79821 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79821. Following Lipinski's Rule of Five, RefChem:79821 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79821?
The CAS number of RefChem:79821 is 68140-93-2.
What is the molecular formula of RefChem:79821?
The molecular formula of RefChem:79821 is C26H52N2O5S.
What is the molecular weight of RefChem:79821?
The molecular weight of RefChem:79821 is 504.36 g/mol.
Where can I buy RefChem:79821?
You can request a quote for RefChem:79821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79821?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.