(E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid
TL;DR: (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid (CAS 381692-92-8) is a chemical compound with molecular formula C31H32F3N3O5S2 and molecular weight 647.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
Also Known As: (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid, (Z)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid, 11-[(5Z)-4-oxo-5-(2-oxo-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}-1,2-dihydro-3H-indol-3-ylidene)-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid, 11-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
| Molecular Formula | C31H32F3N3O5S2 |
|---|---|
| Molecular Weight | 647.17 g/mol |
| LogP | 6.8576 |
| Topological Polar Surface Area | 107.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 647.1735 |
| Heavy Atoms | 44 |
| Complexity | 1477.4442 |
Chemical Identifiers
| CAS Number | 381692-92-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)/C(=O)N2CC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
(E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid (CAS 381692-92-8), with molecular formula C31H32F3N3O5S2 and molecular weight 647.17 g/mol. IUPAC: 11-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid.
Chemical Property Profile of (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid
Property Insights of (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid
The XLogP value of 6.8576 indicates that (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.02 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid. Following Lipinski's Rule of Five, (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid has 2 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 (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid?
The CAS number of (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid is 381692-92-8.
What is the molecular formula of (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid?
The molecular formula of (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid is C31H32F3N3O5S2.
What is the molecular weight of (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid?
The molecular weight of (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid is 647.17 g/mol.
Where can I buy (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid?
You can request a quote for (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-11-(4-oxo-5-(2-oxo-1-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)indolin-3-ylidene)-2-thioxothiazolidin-3-yl)undecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.