(5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione
TL;DR: (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione (CAS 444783-17-9) is a chemical compound with molecular formula C17H21NO4S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-butan-2-yl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AH-487/41143403, (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione, (5E)-3-butan-2-yl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione, 3-sec-butyl-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione
| Molecular Formula | C17H21NO4S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 3.9287 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.11914 |
| Heavy Atoms | 23 |
| Complexity | 641.4806 |
Chemical Identifiers
| CAS Number | 444783-17-9 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C\C2=CC(=C(C=C2)OCC)OC)/SC1=O |
Product Overview
(5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione (CAS 444783-17-9), with molecular formula C17H21NO4S and molecular weight 335.12 g/mol. IUPAC: (5E)-3-butan-2-yl-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione
Property Insights of (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione
The XLogP value of 3.9287 indicates that (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione has 0 hydrogen bond donor(s) and 5 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 (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione?
The CAS number of (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione is 444783-17-9.
What is the molecular formula of (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular formula of (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione is C17H21NO4S.
What is the molecular weight of (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione?
The molecular weight of (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione is 335.12 g/mol.
Where can I buy (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione?
You can request a quote for (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-3-(butan-2-yl)-5-(4-ethoxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.