3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride
TL;DR: 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride (CAS 1452-34-2) is a chemical compound with molecular formula C29H51ClN2O and molecular weight 478.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol chloride
Also Known As: 3-benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride, 5.alpha.-Cholestan-3-one, 2.alpha.-bromo-, 3-Benzyl-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1-H-imidazolium chloride, Cholestan-3-one, 2-bromo-, (2.alpha.,5.alpha.)-, 2-(3-benzyl-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol chloride
| Molecular Formula | C29H51ClN2O |
|---|---|
| Molecular Weight | 478.37 g/mol |
| LogP | 4.17 |
| Topological Polar Surface Area | 26.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 20 |
| Exact Mass | 478.369 |
| Heavy Atoms | 33 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 1452-34-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CC2=CC=CC=C2.[Cl-] |
| InChIKey | CLQYEXVGDIHPFZ-UHFFFAOYSA-M |
Product Overview
3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride (CAS 1452-34-2), with molecular formula C29H51ClN2O and molecular weight 478.37 g/mol. IUPAC: 2-(3-benzyl-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol chloride.
Chemical Property Profile of 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride
Property Insights of 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride
The XLogP value of 4.17 indicates that 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.5 Ų, 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride has 1 hydrogen bond donor(s) and 2 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 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride?
The CAS number of 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride is 1452-34-2.
What is the molecular formula of 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride?
The molecular formula of 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride is C29H51ClN2O.
What is the molecular weight of 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride?
The molecular weight of 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride is 478.37 g/mol.
Where can I buy 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride?
You can request a quote for 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-heptadecyl-1-(2-hydroxyethyl)-4,5-dihydro-1h-imidazol-3-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.