![(2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one structure](/static/products/1164/1164559-06-1.webp)
(2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one
TL;DR: (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one (CAS 1164559-06-1) is a chemical compound with molecular formula C15H10N2O4S and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-1-benzothiophen-3-ol
Also Known As: ChemDiv1_002500, (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one, 2-{[(2-hydroxy-5-nitrophenyl)amino]methylene}-1-benzothiophen-3(2H)-one, (Z)-2-(((2-hydroxy-5-nitrophenyl)amino)methylene)benzo[b]thiophen-3(2H)-one, (2Z)-2-[(2-hydroxy-5-nitro-anilino)methylene]benzothiophen-3-one
| Molecular Formula | C15H10N2O4S |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 3.9713 |
| Topological Polar Surface Area | 95.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.03613 |
| Heavy Atoms | 22 |
| Complexity | 901.6939 |
Chemical Identifiers
| CAS Number | 1164559-06-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C=NC3=C(C=CC(=C3)[N+](=O)[O-])O)O |
Product Overview
(2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one (CAS 1164559-06-1), with molecular formula C15H10N2O4S and molecular weight 314.04 g/mol. IUPAC: 2-[(2-hydroxy-5-nitrophenyl)iminomethyl]-1-benzothiophen-3-ol.
Chemical Property Profile of (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one
Property Insights of (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one
The XLogP value of 3.9713 indicates that (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one. Following Lipinski's Rule of Five, (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one has 2 hydrogen bond donor(s) and 6 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 (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one?
The CAS number of (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one is 1164559-06-1.
What is the molecular formula of (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one?
The molecular formula of (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one is C15H10N2O4S.
What is the molecular weight of (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one?
The molecular weight of (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one is 314.04 g/mol.
Where can I buy (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one?
You can request a quote for (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[(2-hydroxy-5-nitroanilino)methylidene]-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.