3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 5482-18-8) is a chemical compound with molecular formula C13H10N2O4S2 and molecular weight 322.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00385182, AB00086683-01, 3-allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C13H10N2O4S2 |
|---|---|
| Molecular Weight | 322.01 g/mol |
| LogP | 2.6876 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.0082 |
| Heavy Atoms | 21 |
| Complexity | 684.7489 |
Chemical Identifiers
| CAS Number | 5482-18-8 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C/C2=C(C(=CC=C2)[N+](=O)[O-])O)/SC1=S |
Product Overview
3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 5482-18-8), with molecular formula C13H10N2O4S2 and molecular weight 322.01 g/mol. IUPAC: (5Z)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 2.6876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one 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 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 5482-18-8.
What is the molecular formula of 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is C13H10N2O4S2.
What is the molecular weight of 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 322.01 g/mol.
Where can I buy 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-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 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-(2-hydroxy-3-nitrobenzylidene)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.