![3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide structure](/static/products/5207/52078-67-8.webp)
3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide
TL;DR: 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide (CAS 52078-67-8) is a chemical compound with molecular formula C23H25IN2O2 and molecular weight 488.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide
Also Known As: Benzoxazolium,3-ethyl-2-[3-(3-ethyl-5-methyl-2(3H)-benzoxazolylidene)-1-propen-1-yl]-5-methyl-,iodide (1:1)
| Molecular Formula | C23H25IN2O2 |
|---|---|
| Molecular Weight | 488.10 g/mol |
| LogP | 2.13454 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.09607 |
| Heavy Atoms | 28 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 52078-67-8 |
|---|---|
| SMILES | CCN1C2=C(C=CC(=C2)C)OC1=CC=CC3=[N+](C4=C(O3)C=CC(=C4)C)CC.[I-] |
| InChIKey | PMQWFCXCLUHCMO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide (CAS 52078-67-8), with molecular formula C23H25IN2O2 and molecular weight 488.10 g/mol. IUPAC: 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide.
Chemical Property Profile of 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide
Property Insights of 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide
The XLogP value of 2.13454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide. With a topological polar surface area (TPSA) of 29.5 Ų, 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide 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 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide?
The CAS number of 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide is 52078-67-8.
What is the molecular formula of 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide?
The molecular formula of 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide is C23H25IN2O2.
What is the molecular weight of 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide?
The molecular weight of 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide is 488.10 g/mol.
Where can I buy 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide?
You can request a quote for 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-2-[3-(3-ethyl-5-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1,3-benzoxazole iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.