Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate
TL;DR: Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate (CAS 1164558-25-1) is a chemical compound with molecular formula C23H16F3N3O4S and molecular weight 487.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[[3-hydroxy-1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinolin-4-yl]methylideneamino]-1,3-thiazol-4-yl]acetate
Also Known As: Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate
| Molecular Formula | C23H16F3N3O4S |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 4.6377 |
| Topological Polar Surface Area | 93.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.08136 |
| Heavy Atoms | 34 |
| Complexity | 1474.5847 |
Chemical Identifiers
| CAS Number | 1164558-25-1 |
|---|---|
| SMILES | COC(=O)CC1=CSC(=N1)N=CC2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F)O |
Product Overview
Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate (CAS 1164558-25-1), with molecular formula C23H16F3N3O4S and molecular weight 487.08 g/mol. IUPAC: methyl 2-[2-[[3-hydroxy-1-oxo-2-[3-(trifluoromethyl)phenyl]isoquinolin-4-yl]methylideneamino]-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate
Property Insights of Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate
The XLogP value of 4.6377 indicates that Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate. Following Lipinski's Rule of Five, Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate 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 Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate?
The CAS number of Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate is 1164558-25-1.
What is the molecular formula of Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate?
The molecular formula of Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate is C23H16F3N3O4S.
What is the molecular weight of Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate?
The molecular weight of Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate is 487.08 g/mol.
Where can I buy Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate?
You can request a quote for Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (E)-2-(2-(((1,3-dioxo-2-(3-(trifluoromethyl)phenyl)-2,3-dihydroisoquinolin-4(1H)-ylidene)methyl)amino)thiazol-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.