(Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one
TL;DR: (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one (CAS 724779-01-5) is a chemical compound with molecular formula C15H16N2OS2 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one, (5Z)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one, 5-[1-(3,4-Dihydro-1H-isoquinolin-2-yl)-meth-(Z)-ylidene]-3-ethyl-2-thioxo-thiazolidin-4-one
| Molecular Formula | C15H16N2OS2 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 2.7663 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.0704 |
| Heavy Atoms | 20 |
| Complexity | 597.29126 |
Chemical Identifiers
| CAS Number | 724779-01-5 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/N2CCC3=CC=CC=C3C2)/SC1=S |
Product Overview
(Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one (CAS 724779-01-5), with molecular formula C15H16N2OS2 and molecular weight 304.07 g/mol. IUPAC: (5Z)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one
Property Insights of (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one
The XLogP value of 2.7663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one. With a topological polar surface area (TPSA) of 23.55 Ų, (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one has 0 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 (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one?
The CAS number of (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one is 724779-01-5.
What is the molecular formula of (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one is C15H16N2OS2.
What is the molecular weight of (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one is 304.07 g/mol.
Where can I buy (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)-3-ethyl-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.