2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one
TL;DR: 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one (CAS 354543-35-4) is a chemical compound with molecular formula C18H15IO3S and molecular weight 437.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-1-benzothiophen-3-one
Also Known As: 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one, (2Z)-2-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-1-benzothiophen-3-one, (2Z)-2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one
| Molecular Formula | C18H15IO3S |
|---|---|
| Molecular Weight | 437.98 g/mol |
| LogP | 5.028 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.97867 |
| Heavy Atoms | 23 |
| Complexity | 798.8489 |
Chemical Identifiers
| CAS Number | 354543-35-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)C3=CC=CC=C3S2)I)OC |
Product Overview
2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one (CAS 354543-35-4), with molecular formula C18H15IO3S and molecular weight 437.98 g/mol. IUPAC: (2Z)-2-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylidene]-1-benzothiophen-3-one.
Chemical Property Profile of 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one
Property Insights of 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one
The XLogP value of 5.028 indicates that 2-(3-ethoxy-5-iodo-4-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-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-ethoxy-5-iodo-4-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-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
The CAS number of 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one is 354543-35-4.
What is the molecular formula of 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
The molecular formula of 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one is C18H15IO3S.
What is the molecular weight of 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
The molecular weight of 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one is 437.98 g/mol.
Where can I buy 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
You can request a quote for 2-(3-ethoxy-5-iodo-4-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-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-ethoxy-5-iodo-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.