![2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one structure](/static/products/333/333358-94-4.png)
2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one
TL;DR: 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one (CAS 333358-94-4) is a chemical compound with molecular formula C15H10N2O3S and molecular weight 298.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrophenyl)iminomethyl]-1-benzothiophen-3-ol
Also Known As: BAS 00795875, 2-[(2-nitroanilino)methylidene]-1-benzothiophen-3-one, 2-{[(2-nitrophenyl)amino]methylene}-1-benzothiophen-3(2H)-one, 2-{[(2-nitrophenyl)amino]methylene}benzo[b]thiophen-3-one, (2E)-2-[(2-nitroanilino)methylidene]-1-benzothiophen-3-one
| Molecular Formula | C15H10N2O3S |
|---|---|
| Molecular Weight | 298.04 g/mol |
| LogP | 4.2657 |
| Topological Polar Surface Area | 75.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0412 |
| Heavy Atoms | 21 |
| Complexity | 855.0009 |
Chemical Identifiers
| CAS Number | 333358-94-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C=NC3=CC=CC=C3[N+](=O)[O-])O |
Product Overview
2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one (CAS 333358-94-4), with molecular formula C15H10N2O3S and molecular weight 298.04 g/mol. IUPAC: 2-[(2-nitrophenyl)iminomethyl]-1-benzothiophen-3-ol.
Chemical Property Profile of 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one
Property Insights of 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one
The XLogP value of 4.2657 indicates that 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one. Following Lipinski's Rule of Five, 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-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-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one?
The CAS number of 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one is 333358-94-4.
What is the molecular formula of 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one?
The molecular formula of 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one is C15H10N2O3S.
What is the molecular weight of 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one?
The molecular weight of 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one is 298.04 g/mol.
Where can I buy 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one?
You can request a quote for 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2-Nitrophenyl)amino]methylene}benzo[b]thiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.