1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium
TL;DR: 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium (CAS 68991-92-4) is a chemical compound with molecular formula C14H26N2O3 and molecular weight 270.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-hexyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]propanoate
Also Known As: 1H-Imidazolium, 1-(2-carboxyethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-, inner salt, 1-Hydroxyethyl-2-hexylimidazolinium-3-propanoic acid, inner salt, 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium, 3-[2-hexyl-3-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium-1-yl]propanoate, 3-(2-Hexyl-3-(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-3-ium-1-yl)propanoate
| Molecular Formula | C14H26N2O3 |
|---|---|
| Molecular Weight | 270.19 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 270.19434 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 68991-92-4 |
|---|---|
| SMILES | CCCCCCC1=[N+](CCN1CCC(=O)[O-])CCO |
| InChIKey | QQMSEIJLXRNKTA-UHFFFAOYSA-N |
Product Overview
1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium (CAS 68991-92-4), with molecular formula C14H26N2O3 and molecular weight 270.19 g/mol. IUPAC: 3-[2-hexyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]propanoate.
Chemical Property Profile of 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium
Property Insights of 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium. Following Lipinski's Rule of Five, 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium has 1 hydrogen bond donor(s) and 3 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 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium?
The CAS number of 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium is 68991-92-4.
What is the molecular formula of 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium?
The molecular formula of 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium is C14H26N2O3.
What is the molecular weight of 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium?
The molecular weight of 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium is 270.19 g/mol.
Where can I buy 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium?
You can request a quote for 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Carboxylatoethyl)-2-hexyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.