![2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one structure](/static/products/3811/381187-53-7.webp)
2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one
TL;DR: 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one (CAS 381187-53-7) is a chemical compound with molecular formula C15H9NO4S and molecular weight 299.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3-one
Also Known As: A2339/0098729, 2-(4-hydroxy-3-nitrobenzylidene)-1-benzothiophen-3(2H)-one, 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one, 2-[(4-hydroxy-3-nitrophenyl)methylene]benzo[b]thiophen-3-one, (2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3-one
| Molecular Formula | C15H9NO4S |
|---|---|
| Molecular Weight | 299.03 g/mol |
| LogP | 3.6299 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.02524 |
| Heavy Atoms | 21 |
| Complexity | 798.0107 |
Chemical Identifiers
| CAS Number | 381187-53-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC(=C(C=C3)O)[N+](=O)[O-])/S2 |
Product Overview
2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one (CAS 381187-53-7), with molecular formula C15H9NO4S and molecular weight 299.03 g/mol. IUPAC: (2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one
Property Insights of 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one
The XLogP value of 3.6299 indicates that 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one. Following Lipinski's Rule of Five, 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one has 1 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 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
The CAS number of 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one is 381187-53-7.
What is the molecular formula of 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
The molecular formula of 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one is C15H9NO4S.
What is the molecular weight of 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
The molecular weight of 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one is 299.03 g/mol.
Where can I buy 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
You can request a quote for 2-(4-Hydroxy-3-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 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Hydroxy-3-nitrobenzylidene)benzo[b]thiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.