Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)
TL;DR: Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1) (CAS 63123-27-3) is a chemical compound with molecular formula C21H21IN2O and molecular weight 444.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoxazole iodide
Also Known As: 1-Ethyl-2-((3-ethyl-3H-benzoxazol-2-ylidene)methyl)quinolinium iodide, Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide, Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1), 1-ETHYL-2-[(3-ETHYL-3H-BENZOXAZOL-2-YLIDENE)METHYL]QUINOLINIUM IODIDE, Quinolinium, 1-ethyl-2-[(3-ethyl-2(3H)-benzoxazolylidene)methyl]-, iodide
| Molecular Formula | C21H21IN2O |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 1.37 |
| Topological Polar Surface Area | 16.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.06985 |
| Heavy Atoms | 25 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 63123-27-3 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2OC1=CC3=[N+](C4=CC=CC=C4C=C3)CC.[I-] |
| InChIKey | IOMLIHYTQVTFGV-UHFFFAOYSA-M |
Product Overview
Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1) (CAS 63123-27-3), with molecular formula C21H21IN2O and molecular weight 444.07 g/mol. IUPAC: 3-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoxazole iodide.
Chemical Property Profile of Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)
Property Insights of Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)
The XLogP value of 1.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1). With a topological polar surface area (TPSA) of 16.4 Ų, Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1) has 0 hydrogen bond donor(s) and 3 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 Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)?
The CAS number of Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1) is 63123-27-3.
What is the molecular formula of Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)?
The molecular formula of Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1) is C21H21IN2O.
What is the molecular weight of Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)?
The molecular weight of Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1) is 444.07 g/mol.
Where can I buy Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)?
You can request a quote for Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 1-ethyl-2-((3-ethyl-2(3H)-benzoxazolylidene)methyl)-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.