3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one
TL;DR: 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one (CAS 6523-13-3) is a chemical compound with molecular formula C13H8Cl3NO2S2 and molecular weight 378.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
Also Known As: 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one, (5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one, (5E)-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-5-[(2,4,6-TRICHLORO-3-HYDROXYPHENYL)METHYLIDENE]-1,3-THIAZOLIDIN-4-ONE, 3-prop-2-enyl-2-thioxo-5-[(2,4,6-trichloro-3-hydroxyphenyl)methylene]-1,3-thia zolidin-4-one
| Molecular Formula | C13H8Cl3NO2S2 |
|---|---|
| Molecular Weight | 378.91 g/mol |
| LogP | 4.7396 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.9062 |
| Heavy Atoms | 21 |
| Complexity | 688.4842 |
Chemical Identifiers
| CAS Number | 6523-13-3 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=C(C(=C(C=C2Cl)Cl)O)Cl)/SC1=S |
Product Overview
3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one (CAS 6523-13-3), with molecular formula C13H8Cl3NO2S2 and molecular weight 378.91 g/mol. IUPAC: (5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2,4,6-trichloro-3-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one
Property Insights of 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one
The XLogP value of 4.7396 indicates that 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-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-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-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-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one?
The CAS number of 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one is 6523-13-3.
What is the molecular formula of 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one?
The molecular formula of 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one is C13H8Cl3NO2S2.
What is the molecular weight of 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one?
The molecular weight of 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one is 378.91 g/mol.
Where can I buy 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one?
You can request a quote for 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-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-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-2-thioxo-5-(2,4,6-trichloro-3-hydroxybenzylidene)-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.