![(2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one structure](/static/products/1010/101000-94-6.webp)
(2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one
TL;DR: (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one (CAS 101000-94-6) is a chemical compound with molecular formula C17H15NOS and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzothiophen-3-one
Also Known As: (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one, AB00720169-01, (Z)-2-(4-(dimethylamino)benzylidene)benzo[b]thiophen-3(2H)-one, 2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one, (2Z)-2-[(4-dimethylaminophenyl)methylidene]-1-benzothiophen-3-one
| Molecular Formula | C17H15NOS |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.08743 |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 101000-94-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=CC=CC=C3S2 |
| InChIKey | SKGMGVZAQKNZAU-WJDWOHSUSA-N |
Product Overview
(2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one (CAS 101000-94-6), with molecular formula C17H15NOS and molecular weight 281.09 g/mol. IUPAC: (2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one
Property Insights of (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one
The XLogP value of 4.3 indicates that (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-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, (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-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 (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one?
The CAS number of (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one is 101000-94-6.
What is the molecular formula of (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one?
The molecular formula of (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one is C17H15NOS.
What is the molecular weight of (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one?
The molecular weight of (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one is 281.09 g/mol.
Where can I buy (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one?
You can request a quote for (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-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-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[4-(dimethylamino)benzylidene]-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.