![2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one structure](/static/products/6455/6455-53-4.webp)
2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one
TL;DR: 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one (CAS 6455-53-4) is a chemical compound with molecular formula C21H22O3S and molecular weight 354.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one
Also Known As: 2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one, 2-{[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene}-1-benzothiophen-3(2H)-one
| Molecular Formula | C21H22O3S |
|---|---|
| Molecular Weight | 354.13 g/mol |
| LogP | 5.4496 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.12897 |
| Heavy Atoms | 25 |
| Complexity | 808.5385 |
Chemical Identifiers
| CAS Number | 6455-53-4 |
|---|---|
| SMILES | CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)C3=CC=CC=C3S2)OC |
Product Overview
2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one (CAS 6455-53-4), with molecular formula C21H22O3S and molecular weight 354.13 g/mol. IUPAC: 2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one
Property Insights of 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one
The XLogP value of 5.4496 indicates that 2-[[3-Methoxy-4-(3-methylbutoxy)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 35.53 Ų, 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one?
The CAS number of 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one is 6455-53-4.
What is the molecular formula of 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one?
The molecular formula of 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one is C21H22O3S.
What is the molecular weight of 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one?
The molecular weight of 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one is 354.13 g/mol.
Where can I buy 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one?
You can request a quote for 2-[[3-Methoxy-4-(3-methylbutoxy)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-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-Methoxy-4-(3-methylbutoxy)phenyl]methylidene]-1-benzothiophen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.