2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide
TL;DR: 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide (CAS 67990-11-8) is a chemical compound with molecular formula C19H21IN2O and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide
Also Known As: 3-ethyl-5,6-dimethyl-2-[2- vinyl]benzoxazoliumiodide, 2-(2-Anilinovinyl)-5,6-dimethyl-3-ethylbenzoxazolium iodide, Benzoxazolium, 3-ethyl-5,6-dimethyl-2-[2-(phenylamino)ethenyl]-, iodide, 3-ethyl-5,6-dimethyl-2-[2-(phenylamino)vinyl]benzoxazolium iodide, 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide
| Molecular Formula | C19H21IN2O |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 1.44 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.06985 |
| Heavy Atoms | 23 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 67990-11-8 |
|---|---|
| SMILES | CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)C=CNC3=CC=CC=C3.[I-] |
| InChIKey | ZQOJNJPQLBYVTD-UHFFFAOYSA-N |
Product Overview
2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide (CAS 67990-11-8), with molecular formula C19H21IN2O and molecular weight 420.07 g/mol. IUPAC: N-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]aniline iodide.
Chemical Property Profile of 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide
Property Insights of 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide
The XLogP value of 1.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide. With a topological polar surface area (TPSA) of 29.1 Ų, 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide has 1 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 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide?
The CAS number of 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide is 67990-11-8.
What is the molecular formula of 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide?
The molecular formula of 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide is C19H21IN2O.
What is the molecular weight of 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide?
The molecular weight of 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide is 420.07 g/mol.
Where can I buy 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide?
You can request a quote for 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Anilinoethen-1-yl)-3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.