![(5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione structure](/static/products/4319/431932-53-5.webp)
(5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione
TL;DR: (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione (CAS 431932-53-5) is a chemical compound with molecular formula C20H14N2O5S and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-[(3-nitrophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione, (5E)-3-[(3-nitrophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C20H14N2O5S |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 3.8433 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.06235 |
| Heavy Atoms | 28 |
| Complexity | 1008.0013 |
Chemical Identifiers
| CAS Number | 431932-53-5 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=O)S2)CC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione (CAS 431932-53-5), with molecular formula C20H14N2O5S and molecular weight 394.06 g/mol. IUPAC: (5E)-3-[(3-nitrophenyl)methyl]-5-[(4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione
Property Insights of (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione
The XLogP value of 3.8433 indicates that (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione. Following Lipinski's Rule of Five, (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione has 0 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 (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione?
The CAS number of (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione is 431932-53-5.
What is the molecular formula of (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione?
The molecular formula of (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione is C20H14N2O5S.
What is the molecular weight of (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione?
The molecular weight of (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione is 394.06 g/mol.
Where can I buy (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione?
You can request a quote for (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-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-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-3-(3-nitrobenzyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.