![(2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole structure](/static/products/477/47747-80-8.png)
(2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole
TL;DR: (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole (CAS 47747-80-8) is a chemical compound with molecular formula C30H31N2OS+ and molecular weight 467.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole
Also Known As: (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole, 3-Ethyl-2-[3-(3-ethyl-5,6-dimethylbenzothiazol-2(3H)-ylidene)-2-methyl-1-propenyl]-5-phenylbenzoxazolium
| Molecular Formula | C30H31N2OS+ |
|---|---|
| Molecular Weight | 467.22 g/mol |
| LogP | 7.65614 |
| Topological Polar Surface Area | 16.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.2157 |
| Heavy Atoms | 34 |
| Complexity | 1429.4702 |
Chemical Identifiers
| CAS Number | 47747-80-8 |
|---|---|
| SMILES | CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C/C(=C/C4=[N+](C5=C(S4)C=C(C(=C5)C)C)CC)/C |
Product Overview
(2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole (CAS 47747-80-8), with molecular formula C30H31N2OS+ and molecular weight 467.22 g/mol. IUPAC: (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole.
Chemical Property Profile of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole
Property Insights of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole
The XLogP value of 7.65614 indicates that (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 16.35 Ų, (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole?
The CAS number of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole is 47747-80-8.
What is the molecular formula of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole?
The molecular formula of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole is C30H31N2OS+.
What is the molecular weight of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole?
The molecular weight of (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole is 467.22 g/mol.
Where can I buy (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole?
You can request a quote for (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-ethyl-2-[(E)-3-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.