5-Benzylidine-3-rhodaninehexanoic acid
TL;DR: 5-Benzylidine-3-rhodaninehexanoic acid (CAS 15164-04-2) is a chemical compound with molecular formula C16H17NO3S2 and molecular weight 335.06497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Also Known As: 5-BENZYLIDINE-3-RHODANINEHEXANOIC ACID, 6-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)hexanoic acid, 6-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic Acid, 6-[(5E)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid, 6-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Technical Specifications
| Molecular Formula | C16H17NO3S2 |
| Molecular Weight | 335.06497 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.06497 Da |
| Heavy Atoms | 22 |
| Complexity | 470.0 |
| SMILES | C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)O |
| InChIKey | RBQYTRMRAMKNBT-ACCUITESSA-N |
Chemical Property Profile of 5-Benzylidine-3-rhodaninehexanoic acid
Property Insights of 5-Benzylidine-3-rhodaninehexanoic acid
The XLogP value of 3.5 indicates that 5-Benzylidine-3-rhodaninehexanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylidine-3-rhodaninehexanoic acid. Following Lipinski's Rule of Five, 5-Benzylidine-3-rhodaninehexanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Benzylidine-3-rhodaninehexanoic acid?
The CAS number of 5-Benzylidine-3-rhodaninehexanoic acid is 15164-04-2.
What is the molecular formula of 5-Benzylidine-3-rhodaninehexanoic acid?
The molecular formula of 5-Benzylidine-3-rhodaninehexanoic acid is C16H17NO3S2.
What is the molecular weight of 5-Benzylidine-3-rhodaninehexanoic acid?
The molecular weight of 5-Benzylidine-3-rhodaninehexanoic acid is 335.06497 g/mol.
Where can I buy 5-Benzylidine-3-rhodaninehexanoic acid?
You can request a quote for 5-Benzylidine-3-rhodaninehexanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Benzylidine-3-rhodaninehexanoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Benzylidine-3-rhodaninehexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.