![1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride structure](/static/products/6478/647825-29-4.webp)
1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride
TL;DR: 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride (CAS 647825-29-4) is a chemical compound with molecular formula C23H26ClN3O3 and molecular weight 427.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-morpholin-4-ylphenyl) 4-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]benzoate chloride
Also Known As: 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride, 1,2-Dimethyl-3-(4-((3-morpholinophenoxy)carbonyl)benzyl)-1H-imidazol-3-ium chloride, (3-morpholin-4-ylphenyl) 4-[(2,3-dimethylimidazol-1-yl)methyl]benzoate Chloride, (3-morpholin-4-ylphenyl) 4-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]benzoate chloride, 2,3-dimethyl-1-({4-[3-(morpholin-4-yl)phenoxycarbonyl]phenyl}methyl)imidazol-1-ium chloride
| Molecular Formula | C23H26ClN3O3 |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | -0.27088 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.16626 |
| Heavy Atoms | 30 |
| Complexity | 995.18286 |
Chemical Identifiers
| CAS Number | 647825-29-4 |
|---|---|
| SMILES | CC1=[N+](C=CN1CC2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)N4CCOCC4)C.[Cl-] |
Product Overview
1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride (CAS 647825-29-4), with molecular formula C23H26ClN3O3 and molecular weight 427.17 g/mol. IUPAC: (3-morpholin-4-ylphenyl) 4-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]benzoate chloride.
Chemical Property Profile of 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride
Property Insights of 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride
The XLogP value of -0.27088 indicates that 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.58 Ų, 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride has 0 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 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride?
The CAS number of 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride is 647825-29-4.
What is the molecular formula of 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride?
The molecular formula of 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride is C23H26ClN3O3.
What is the molecular weight of 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride?
The molecular weight of 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride is 427.17 g/mol.
Where can I buy 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride?
You can request a quote for 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-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 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-dimethyl-3-{4-[(3-morpholinophenoxy)carbonyl]benzyl}-1H-imidazol-3-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.