RefChem:79816
TL;DR: RefChem:79816 (CAS 68647-44-9) is a chemical compound with molecular formula C18H35N2NaO4 and molecular weight 366.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;2-[3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide
Also Known As: Sodium 1-(carboxymethyl)-4,5-dihydro-1(or 3)-(2-hydroxyethyl)-2-undecyl-1H-imidazolium hydroxide, 1H-Imidazole-1-ethanol, 4,5-dihydro-2-undecyl, carboxymethylated, sodium salt, 1H-Imidazolium, 1-(carboxymethyl)-4,5-dihydro-1(or 3)-(2-hydroxyethyl)-2-undecyl-, hydroxide, monosodium salt, 1H-Imidazolium, 1-(carboxymethyl)-4,5-dihydro-1(or 3)-(2-hydroxyethyl)-2-undecyl-, hydroxide, sodium salt (1:1:1), sodium hydroxide-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydro-1h-imidazol-3-ium-3-yl]acetate(1:1:1)
| Molecular Formula | C18H35N2NaO4 |
|---|---|
| Molecular Weight | 366.25 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 366.24945 |
| Heavy Atoms | 25 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 68647-44-9 |
|---|---|
| SMILES | CCCCCCCCCCCC1=[N+](CCN1CCO)CC(=O)[O-].[OH-].[Na+] |
| InChIKey | KGWNJGBNPWFAFR-UHFFFAOYSA-M |
Product Overview
RefChem:79816 (CAS 68647-44-9), with molecular formula C18H35N2NaO4 and molecular weight 366.25 g/mol. IUPAC: sodium;2-[3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]acetate;hydroxide.
Chemical Property Profile of RefChem:79816
Property Insights of RefChem:79816
The XLogP value of -1.8 indicates that RefChem:79816 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79816. Following Lipinski's Rule of Five, RefChem:79816 has 2 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:79816?
The CAS number of RefChem:79816 is 68647-44-9.
What is the molecular formula of RefChem:79816?
The molecular formula of RefChem:79816 is C18H35N2NaO4.
What is the molecular weight of RefChem:79816?
The molecular weight of RefChem:79816 is 366.25 g/mol.
Where can I buy RefChem:79816?
You can request a quote for RefChem:79816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.