![3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide structure](/static/products/4172/41729-43-5.webp)
3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide
TL;DR: 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide (CAS 41729-43-5) is a chemical compound with molecular formula C21H23IN2O2 and molecular weight 462.08 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]-N-phenylacetamide iodide
Also Known As: 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide, Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-5,6-dimethyl-, iodide, Benzoxazolium, 2-[2-(acetylphenylamino)ethenyl]-3-ethyl-5,6-dimethyl-, iodide (1:1), BENZOXAZOLIUM,2-[2-(ACETYLPHENYLAMINO)ETHENYL]-3-ETHYL-5,6-DIMETHYL-, IODIDE (1:1), N-[(E)-2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide;iodide
| Molecular Formula | C21H23IN2O2 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | 1.38484 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.08044 |
| Heavy Atoms | 26 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 41729-43-5 |
|---|---|
| SMILES | CC[N+]1=C(OC2=C1C=C(C(=C2)C)C)C=CN(C3=CC=CC=C3)C(=O)C.[I-] |
| InChIKey | ZXWXLKDCEHARTI-UHFFFAOYSA-M |
Product Overview
3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide (CAS 41729-43-5), with molecular formula C21H23IN2O2 and molecular weight 462.08 g/mol. IUPAC: N-[2-(3-ethyl-5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide.
Chemical Property Profile of 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide
Property Insights of 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide
The XLogP value of 1.38484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium 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 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide?
The CAS number of 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide is 41729-43-5.
What is the molecular formula of 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide?
The molecular formula of 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide is C21H23IN2O2.
What is the molecular weight of 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide?
The molecular weight of 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide is 462.08 g/mol.
Where can I buy 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide?
You can request a quote for 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-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 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5,6-dimethyl-2-[2-(N-phenylacetamido)ethen-1-yl]-1,3-benzoxazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.