![2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one structure](/static/products/114/114662-68-9.png)
2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one
TL;DR: 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one (CAS 114662-68-9) is a chemical compound with molecular formula C21H15NOS and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(C,N-diphenylcarbonimidoyl)-1-benzothiophen-3-ol
Also Known As: 2-[anilino(phenyl)methylidene]-1-benzothiophen-3-one, 2-[phenyl(phenylamino)methylene]benzo[b]thiophen-3-one, (2E)-2-[anilino(phenyl)methylidene]-1-benzothiophen-3-one, (2E)-2-[phenyl(phenylamino)methylidene]-1-benzothiophen-3(2H)-one, (E)-2-(phenyl(phenylamino)methylene)benzo[b]thiophen-3(2H)-one
| Molecular Formula | C21H15NOS |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 5.776 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.08743 |
| Heavy Atoms | 24 |
| Complexity | 1003.89526 |
Chemical Identifiers
| CAS Number | 114662-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NC2=CC=CC=C2)C3=C(C4=CC=CC=C4S3)O |
Product Overview
2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one (CAS 114662-68-9), with molecular formula C21H15NOS and molecular weight 329.09 g/mol. IUPAC: 2-(C,N-diphenylcarbonimidoyl)-1-benzothiophen-3-ol.
Chemical Property Profile of 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one
Property Insights of 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one
The XLogP value of 5.776 indicates that 2-[Phenyl(phenylamino)methylene]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-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[Phenyl(phenylamino)methylene]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-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one?
The CAS number of 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one is 114662-68-9.
What is the molecular formula of 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one?
The molecular formula of 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one is C21H15NOS.
What is the molecular weight of 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one?
The molecular weight of 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one is 329.09 g/mol.
Where can I buy 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one?
You can request a quote for 2-[Phenyl(phenylamino)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-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[Phenyl(phenylamino)methylene]benzo[b]thiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.