4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium
TL;DR: 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium (CAS 47525-33-7) is a chemical compound with molecular formula C19H39N2O5S+ and molecular weight 407.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propane-1-sulfonic acid
Also Known As: 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium, 2-hydroxy-3-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propane-1-sulfonic acid, 2-hydroxy-3-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-yl]propane-1-sulfonic Acid
| Molecular Formula | C19H39N2O5S+ |
|---|---|
| Molecular Weight | 407.26 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 407.25797 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 47525-33-7 |
|---|---|
| SMILES | CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(CS(=O)(=O)O)O |
| InChIKey | HTHZSGNTDIRNDV-UHFFFAOYSA-O |
Product Overview
4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium (CAS 47525-33-7), with molecular formula C19H39N2O5S+ and molecular weight 407.26 g/mol. IUPAC: 2-hydroxy-3-[1-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propane-1-sulfonic acid.
Chemical Property Profile of 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium
Property Insights of 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium. Following Lipinski's Rule of Five, 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium has 3 hydrogen bond donor(s) and 6 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 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium?
The CAS number of 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium is 47525-33-7.
What is the molecular formula of 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium?
The molecular formula of 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium is C19H39N2O5S+.
What is the molecular weight of 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium?
The molecular weight of 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium is 407.26 g/mol.
Where can I buy 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium?
You can request a quote for 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-2-undecyl-1H-imidazolium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.