RefChem:79811
TL;DR: RefChem:79811 (CAS 68092-44-4) is a chemical compound with molecular formula C20H35ClN2Na2O5 and molecular weight 464.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[1-[2-(carboxylatomethoxy)ethyl]-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;chloride
Also Known As: 1H-Imidazolium, 1-(2-(carboxymethoxy)ethyl)-1-(carboxymethyl)-4,5-dihydro-2-undecyl-, chloride, disodium salt, 1H-Imidazolium, 1-(2-(carboxymethoxy)ethyl)-1-(carboxymethyl)-4,5-dihydro-2-undecyl-, chloride, sodium salt (1:1:2), Disodium 1-(2-(carboxymethoxy)ethyl)-1-(carboxymethyl)-4,5-dihydro-2-undecyl-1H-imidazolium chloride, sodium chloride{1-[2-(carboxylatomethoxy)ethyl]-2-undecyl-4,5-dihydro-1h-imidazol-1-ium-1-yl}acetate(2:1:1), 1-[2-(Carboxymethoxy)ethyl]-1-(carboxymethyl)-4,5-dihydro-2-undecyl-1H-imidazolium chloride sodium salt (1:1:2)
| Molecular Formula | C20H35ClN2Na2O5 |
|---|---|
| Molecular Weight | 464.20 g/mol |
| LogP | -8.34 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 464.203 |
| Heavy Atoms | 30 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 68092-44-4 |
|---|---|
| SMILES | CCCCCCCCCCCC1=NCC[N+]1(CCOCC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Cl-] |
| InChIKey | LPIXUSNUAMQYFN-UHFFFAOYSA-L |
Product Overview
RefChem:79811 (CAS 68092-44-4), with molecular formula C20H35ClN2Na2O5 and molecular weight 464.20 g/mol. IUPAC: disodium;2-[1-[2-(carboxylatomethoxy)ethyl]-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;chloride.
Chemical Property Profile of RefChem:79811
Property Insights of RefChem:79811
The XLogP value of -8.34 indicates that RefChem:79811 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79811. Following Lipinski's Rule of Five, RefChem:79811 has 0 hydrogen bond donor(s) and 7 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:79811?
The CAS number of RefChem:79811 is 68092-44-4.
What is the molecular formula of RefChem:79811?
The molecular formula of RefChem:79811 is C20H35ClN2Na2O5.
What is the molecular weight of RefChem:79811?
The molecular weight of RefChem:79811 is 464.20 g/mol.
Where can I buy RefChem:79811?
You can request a quote for RefChem:79811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79811?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.