![(Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one structure](/static/products/3319/331972-53-3.webp)
(Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one
TL;DR: (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one (CAS 331972-53-3) is a chemical compound with molecular formula C17H13NO4S and molecular weight 327.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-6-ethoxy-2-[(2-nitrophenyl)methylidene]-1-benzothiophen-3-one
Also Known As: BAS 00720153, (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one, F0211-0059, (2Z)-6-ethoxy-2-[(2-nitrophenyl)methylidene]-1-benzothiophen-3-one, (2Z)-6-ethoxy-2-[(2-nitrophenyl)methylidene]-2,3-dihydro-1-benzothiophen-3-one
| Molecular Formula | C17H13NO4S |
|---|---|
| Molecular Weight | 327.06 g/mol |
| LogP | 4.323 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.05652 |
| Heavy Atoms | 23 |
| Complexity | 829.09314 |
Chemical Identifiers
| CAS Number | 331972-53-3 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/S2 |
Product Overview
(Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one (CAS 331972-53-3), with molecular formula C17H13NO4S and molecular weight 327.06 g/mol. IUPAC: (2Z)-6-ethoxy-2-[(2-nitrophenyl)methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one
Property Insights of (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one
The XLogP value of 4.323 indicates that (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one. Following Lipinski's Rule of Five, (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one has 0 hydrogen bond donor(s) and 5 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 (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
The CAS number of (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one is 331972-53-3.
What is the molecular formula of (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
The molecular formula of (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one is C17H13NO4S.
What is the molecular weight of (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
The molecular weight of (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one is 327.06 g/mol.
Where can I buy (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
You can request a quote for (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-ethoxy-2-(2-nitrobenzylidene)benzo[b]thiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.