![2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one structure](/static/products/361/361476-34-8.png)
2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one
TL;DR: 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one (CAS 361476-34-8) is a chemical compound with molecular formula C16H12ClNOS and molecular weight 301.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol
Also Known As: 2-[1-(4-chloroanilino)ethylidene]-1-benzothiophen-3-one, (2Z)-2-[1-(4-chloroanilino)ethylidene]-1-benzothiophen-3-one, 2-{[(4-chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one, (2E)-2-{1-[(4-chlorophenyl)amino]ethylidene}-1-benzothiophen-3(2H)-one, (Z)-2-(1-((4-chlorophenyl)amino)ethylidene)benzo[b]thiophen-3(2H)-one
| Molecular Formula | C16H12ClNOS |
|---|---|
| Molecular Weight | 301.03 g/mol |
| LogP | 5.401 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.0328 |
| Heavy Atoms | 20 |
| Complexity | 789.84705 |
Chemical Identifiers
| CAS Number | 361476-34-8 |
|---|---|
| SMILES | CC(=NC1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3S2)O |
Product Overview
2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one (CAS 361476-34-8), with molecular formula C16H12ClNOS and molecular weight 301.03 g/mol. IUPAC: 2-[N-(4-chlorophenyl)-C-methylcarbonimidoyl]-1-benzothiophen-3-ol.
Chemical Property Profile of 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one
Property Insights of 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one
The XLogP value of 5.401 indicates that 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.59 Ų, 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one has 1 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 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one?
The CAS number of 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one is 361476-34-8.
What is the molecular formula of 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one?
The molecular formula of 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one is C16H12ClNOS.
What is the molecular weight of 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one?
The molecular weight of 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one is 301.03 g/mol.
Where can I buy 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one?
You can request a quote for 2-{[(4-Chlorophenyl)amino]ethylidene}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-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-Chlorophenyl)amino]ethylidene}benzo[b]thiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.