RefChem:438441
TL;DR: RefChem:438441 (CAS 68238-97-1) 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-(1-ethyl-2-heptadec-16-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol;ethyl sulfate
Also Known As: 1-ethyl-2-(heptadec-16-en-1-yl)-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-1-ium ethyl sulfate, 1(Or 3)-ethyl-2-(heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1-H-imidazolium ethyl sulphate, 1H-Imidazolium, 1(or 3)-ethyl-2-(heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-, ethyl sulfate (salt), 1H-Imidazolium, 1(or 3)-ethyl-2-(heptadecen-1-yl)-4,5-dihydro-1-(2-hydroxyethyl)-, ethyl sulfate (1:1), 2-(1-ethyl-2-heptadec-16-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol; ethyl sulfate
| Molecular Formula | C26H52N2O5S |
|---|---|
| Molecular Weight | 504.36 g/mol |
| LogP | 5.75 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 504.35968 |
| Heavy Atoms | 34 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 68238-97-1 |
|---|---|
| SMILES | CC[N+]1(CCN=C1CCCCCCCCCCCCCCCC=C)CCO.CCOS(=O)(=O)[O-] |
| InChIKey | VWEKAYHAUMMPIC-UHFFFAOYSA-M |
Product Overview
RefChem:438441 (CAS 68238-97-1), with molecular formula C26H52N2O5S and molecular weight 504.36 g/mol. IUPAC: 2-(1-ethyl-2-heptadec-16-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol;ethyl sulfate.
Chemical Property Profile of RefChem:438441
Property Insights of RefChem:438441
The XLogP value of 5.75 indicates that RefChem:438441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:438441. Following Lipinski's Rule of Five, RefChem:438441 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:438441?
The CAS number of RefChem:438441 is 68238-97-1.
What is the molecular formula of RefChem:438441?
The molecular formula of RefChem:438441 is C26H52N2O5S.
What is the molecular weight of RefChem:438441?
The molecular weight of RefChem:438441 is 504.36 g/mol.
Where can I buy RefChem:438441?
You can request a quote for RefChem:438441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:438441?
Yes, KEHONG BIO provides custom synthesis services for RefChem:438441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.