![2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile structure](/static/products/6121/6121-49-9.webp)
2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile
TL;DR: 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile (CAS 6121-49-9) is a chemical compound with molecular formula C27H20ClFN2O4S and molecular weight 522.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]methyl]benzonitrile
Also Known As: 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile, 2-[[4-[[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]methyl]benzonitrile
| Molecular Formula | C27H20ClFN2O4S |
|---|---|
| Molecular Weight | 522.08 g/mol |
| LogP | 6.56498 |
| Topological Polar Surface Area | 79.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.0816 |
| Heavy Atoms | 36 |
| Complexity | 1382.5114 |
Chemical Identifiers
| CAS Number | 6121-49-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F)OCC4=CC=CC=C4C#N |
Product Overview
2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile (CAS 6121-49-9), with molecular formula C27H20ClFN2O4S and molecular weight 522.08 g/mol. IUPAC: 2-[[4-[[3-[(2-chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]methyl]benzonitrile.
Chemical Property Profile of 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile
Property Insights of 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile
The XLogP value of 6.56498 indicates that 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile. Following Lipinski's Rule of Five, 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile?
The CAS number of 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile is 6121-49-9.
What is the molecular formula of 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile?
The molecular formula of 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile is C27H20ClFN2O4S.
What is the molecular weight of 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile?
The molecular weight of 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile is 522.08 g/mol.
Where can I buy 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile?
You can request a quote for 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-({3-[(2-Chloro-6-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-2-ethoxyphenoxy]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.