(Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide
TL;DR: (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide (CAS 902017-91-8) is a chemical compound with molecular formula C20H17FN2O4S2 and molecular weight 432.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
Also Known As: (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(5Z)-5-(2-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
| Molecular Formula | C20H17FN2O4S2 |
|---|---|
| Molecular Weight | 432.06 g/mol |
| LogP | 2.797 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.06137 |
| Heavy Atoms | 29 |
| Complexity | 1009.72577 |
Chemical Identifiers
| CAS Number | 902017-91-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)NCCC3=CC(=C(C=C3)O)O)F |
Product Overview
(Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide (CAS 902017-91-8), with molecular formula C20H17FN2O4S2 and molecular weight 432.06 g/mol. IUPAC: N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide.
Chemical Property Profile of (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide
Property Insights of (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide
The XLogP value of 2.797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide. Following Lipinski's Rule of Five, (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide has 3 hydrogen bond donor(s) and 6 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-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
The CAS number of (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide is 902017-91-8.
What is the molecular formula of (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
The molecular formula of (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide is C20H17FN2O4S2.
What is the molecular weight of (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
The molecular weight of (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide is 432.06 g/mol.
Where can I buy (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
You can request a quote for (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-(3,4-dihydroxyphenethyl)-2-(5-(2-fluorobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.