RefChem:79817
TL;DR: RefChem:79817 (CAS 42852-72-2) is a chemical compound with molecular formula C18H34N2O3 and molecular weight 326.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate
Also Known As: 1H-Imidazolium, 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-, inner salt, [1-(2-hydroxyethyl)-2-undecyl-4,5-dihydro-1h-imidazol-1-ium-1-yl]acetate, 2-Undecyl-1-(carboxymethyl)-1-(hydroxyethyl)-4,5-dihydro-3H-imidazolium betaine, 2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate, 1-(carboxylatomethyl)-1-(2-hydroxyethyl)-2-undecyl-4,5-dihydro-1H-imidazol-1-ium
| Molecular Formula | C18H34N2O3 |
|---|---|
| Molecular Weight | 326.26 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 326.25696 |
| Heavy Atoms | 23 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 42852-72-2 |
|---|---|
| SMILES | CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-] |
| InChIKey | FWIJLRSOBQIWFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:79817 (CAS 42852-72-2), with molecular formula C18H34N2O3 and molecular weight 326.26 g/mol. IUPAC: 2-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate.
Chemical Property Profile of RefChem:79817
Property Insights of RefChem:79817
The XLogP value of 4.5 indicates that RefChem:79817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79817. Following Lipinski's Rule of Five, RefChem:79817 has 1 hydrogen bond donor(s) and 4 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:79817?
The CAS number of RefChem:79817 is 42852-72-2.
What is the molecular formula of RefChem:79817?
The molecular formula of RefChem:79817 is C18H34N2O3.
What is the molecular weight of RefChem:79817?
The molecular weight of RefChem:79817 is 326.26 g/mol.
Where can I buy RefChem:79817?
You can request a quote for RefChem:79817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.