(2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one
TL;DR: (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one (CAS 330180-41-1) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-nitrophenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
Also Known As: (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one, 3-Allyl-2-[(E)-allylimino]-5-[1-(3-nitro-phenyl)-meth-(E)-ylidene]-thiazolidin-4-one, (2E,5E)-5-(3-nitrobenzylidene)-3-(prop-2-en-1-yl)-2-(prop-2-en-1-ylimino)-1,3-thiazolidin-4-one, (5E)-5-[(3-nitrophenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-one
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.2391 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 725.0356 |
Chemical Identifiers
| CAS Number | 330180-41-1 |
|---|---|
| SMILES | C=CCN=C1N(C(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/S1)CC=C |
Product Overview
(2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one (CAS 330180-41-1), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: (5E)-5-[(3-nitrophenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylimino-1,3-thiazolidin-4-one.
Chemical Property Profile of (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one
Property Insights of (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one
The XLogP value of 3.2391 indicates that (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one. Following Lipinski's Rule of Five, (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one 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 (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one?
The CAS number of (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one is 330180-41-1.
What is the molecular formula of (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one?
The molecular formula of (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one is C16H15N3O3S.
What is the molecular weight of (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one?
The molecular weight of (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one is 329.08 g/mol.
Where can I buy (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one?
You can request a quote for (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (2E,5E)-3-allyl-2-(allylimino)-5-(3-nitrobenzylidene)thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.