(Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide
TL;DR: (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide (CAS 861109-93-5) is a chemical compound with molecular formula C18H15N3O4S2 and molecular weight 401.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
Also Known As: (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide, N-[(5Z)-5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide, N-[(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
| Molecular Formula | C18H15N3O4S2 |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 2.645 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.05038 |
| Heavy Atoms | 27 |
| Complexity | 931.4589 |
Chemical Identifiers
| CAS Number | 861109-93-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=NC=C3 |
Product Overview
(Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide (CAS 861109-93-5), with molecular formula C18H15N3O4S2 and molecular weight 401.05 g/mol. IUPAC: N-[(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide.
Chemical Property Profile of (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide
Property Insights of (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide
The XLogP value of 2.645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide. Following Lipinski's Rule of Five, (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide has 1 hydrogen bond donor(s) and 7 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)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
The CAS number of (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide is 861109-93-5.
What is the molecular formula of (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
The molecular formula of (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide is C18H15N3O4S2.
What is the molecular weight of (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
The molecular weight of (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide is 401.05 g/mol.
Where can I buy (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
You can request a quote for (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)isonicotinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.