3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
TL;DR: 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 5569-92-6) is a chemical compound with molecular formula C13H9BrClNO2S2 and molecular weight 388.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BIM-0024954.P001, AH-034/08818029, Spiro<5.5>undeca-1,4,7,10-tetraen-3,9-dion, spiro[5,5]undeca-1,4,7,10-tetraene-3,9-dione, 3-allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C13H9BrClNO2S2 |
|---|---|
| Molecular Weight | 388.89 g/mol |
| LogP | 4.1953 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.89465 |
| Heavy Atoms | 20 |
| Complexity | 645.5035 |
Chemical Identifiers
| CAS Number | 5569-92-6 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=C(C(=CC(=C2)Cl)Br)O)/SC1=S |
Product Overview
3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one (CAS 5569-92-6), with molecular formula C13H9BrClNO2S2 and molecular weight 388.89 g/mol. IUPAC: (5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Property Insights of 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 4.1953 indicates that 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 4 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-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 5569-92-6.
What is the molecular formula of 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one is C13H9BrClNO2S2.
What is the molecular weight of 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one is 388.89 g/mol.
Where can I buy 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-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-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-(3-bromo-5-chloro-2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.