(E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
TL;DR: (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 303116-37-2) is a chemical compound with molecular formula C17H19NO5S2 and molecular weight 381.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, [(5E)-5-(4-BUTOXY-3-METHOXYBENZYLIDENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]ACETIC ACID, 2-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C17H19NO5S2 |
|---|---|
| Molecular Weight | 381.07 g/mol |
| LogP | 3.1599 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.07047 |
| Heavy Atoms | 25 |
| Complexity | 716.9898 |
Chemical Identifiers
| CAS Number | 303116-37-2 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OC |
Product Overview
(E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 303116-37-2), with molecular formula C17H19NO5S2 and molecular weight 381.07 g/mol. IUPAC: 2-[(5E)-5-[(4-butoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
Property Insights of (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
The XLogP value of 3.1599 indicates that (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid. Following Lipinski's Rule of Five, (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid has 1 hydrogen bond donor(s) and 6 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 (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The CAS number of (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is 303116-37-2.
What is the molecular formula of (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The molecular formula of (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is C17H19NO5S2.
What is the molecular weight of (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The molecular weight of (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is 381.07 g/mol.
Where can I buy (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
You can request a quote for (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-(4-butoxy-3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.