![2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one structure](/static/products/5679/5679-56-1.webp)
2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one
TL;DR: 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one (CAS 5679-56-1) is a chemical compound with molecular formula C23H17BrO3S and molecular weight 452.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1-benzothiophen-3-one
Also Known As: 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one, (2Z)-2-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1-benzothiophen-3-one, (2Z)-2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one, (2Z)-2-{[4-(Benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-1-benzothiophen-3(2H)-one
| Molecular Formula | C23H17BrO3S |
|---|---|
| Molecular Weight | 452.01 g/mol |
| LogP | 6.3662 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.00818 |
| Heavy Atoms | 28 |
| Complexity | 1060.6975 |
Chemical Identifiers
| CAS Number | 5679-56-1 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=O)C3=CC=CC=C3S2)Br)OCC4=CC=CC=C4 |
Product Overview
2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one (CAS 5679-56-1), with molecular formula C23H17BrO3S and molecular weight 452.01 g/mol. IUPAC: (2Z)-2-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one
Property Insights of 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one
The XLogP value of 6.3662 indicates that 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-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 35.53 Ų, 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-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-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one?
The CAS number of 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one is 5679-56-1.
What is the molecular formula of 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one?
The molecular formula of 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one is C23H17BrO3S.
What is the molecular weight of 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one?
The molecular weight of 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one is 452.01 g/mol.
Where can I buy 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one?
You can request a quote for 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-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 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.