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Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide
TL;DR: Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide (CAS 6992-73-0) is a chemical compound with molecular formula C19H19IN2O2 and molecular weight 434.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide
Also Known As: 2-(2-Acetanilidovinyl)benzoxazole ethiodide, 2-(beta-Acetanilidovinyl)benzoxazole ethiodide, 2-(2-Acetanilidovinyl)-3-ethylbenzoxazolium iodide, Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide, 2-(beta-Acetanilidovinyl)-3-ethylbenzoxazolium iodide
| Molecular Formula | C19H19IN2O2 |
|---|---|
| Molecular Weight | 434.05 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.04913 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 6992-73-0 |
|---|---|
| SMILES | CC[N+]1=C(OC2=CC=CC=C21)C=CN(C3=CC=CC=C3)C(=O)C.[I-] |
| InChIKey | SGSGUFNNYSEVCY-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide (CAS 6992-73-0), with molecular formula C19H19IN2O2 and molecular weight 434.05 g/mol. IUPAC: N-[2-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide.
Chemical Property Profile of Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide
Property Insights of Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide. With a topological polar surface area (TPSA) of 37.3 Ų, Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide 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 Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide?
The CAS number of Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide is 6992-73-0.
What is the molecular formula of Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide?
The molecular formula of Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide is C19H19IN2O2.
What is the molecular weight of Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide?
The molecular weight of Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide is 434.05 g/mol.
Where can I buy Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide?
You can request a quote for Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.