![2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one structure](/static/products/533/53338-89-9.png)
2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one
TL;DR: 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one (CAS 53338-89-9) is a chemical compound with molecular formula C19H19NOS and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(diethylamino)phenyl]methylidene]-1-benzothiophen-3-one
Also Known As: 2-[4-(diethylamino)benzylidene]-1-benzothiophen-3(2H)-one, 2-[[4-(diethylamino)phenyl]methylidene]-1-benzothiophen-3-one
| Molecular Formula | C19H19NOS |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.11874 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 53338-89-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3S2 |
| InChIKey | JJJKYUNFYMLECP-UHFFFAOYSA-N |
Product Overview
2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one (CAS 53338-89-9), with molecular formula C19H19NOS and molecular weight 309.12 g/mol. IUPAC: 2-[[4-(diethylamino)phenyl]methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one
Property Insights of 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one
The XLogP value of 5.0 indicates that 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one has 0 hydrogen bond donor(s) and 3 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-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one?
The CAS number of 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one is 53338-89-9.
What is the molecular formula of 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one?
The molecular formula of 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one is C19H19NOS.
What is the molecular weight of 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one?
The molecular weight of 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one is 309.12 g/mol.
Where can I buy 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one?
You can request a quote for 2-[[4-(Diethylamino)phenyl]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 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(Diethylamino)phenyl]methylidene]-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.