(5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
TL;DR: (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione (CAS 431980-44-8) is a chemical compound with molecular formula C15H12N2O6S and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
Also Known As: (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione, (5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
| Molecular Formula | C15H12N2O6S |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 2.2815 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.0416 |
| Heavy Atoms | 24 |
| Complexity | 795.8894 |
Chemical Identifiers
| CAS Number | 431980-44-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)/C=C/2\C(=O)N(C(=O)S2)CC#C)[N+](=O)[O-])OC |
Product Overview
(5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione (CAS 431980-44-8), with molecular formula C15H12N2O6S and molecular weight 348.04 g/mol. IUPAC: (5E)-5-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Property Insights of (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
The XLogP value of 2.2815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione. Following Lipinski's Rule of Five, (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione has 0 hydrogen bond donor(s) and 7 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)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione?
The CAS number of (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione is 431980-44-8.
What is the molecular formula of (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione?
The molecular formula of (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione is C15H12N2O6S.
What is the molecular weight of (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione?
The molecular weight of (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione is 348.04 g/mol.
Where can I buy (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione?
You can request a quote for (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-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)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(4,5-dimethoxy-2-nitrobenzylidene)-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.