![3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione structure](/static/products/7273/727389-52-8.webp)
3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione
TL;DR: 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione (CAS 727389-52-8) is a chemical compound with molecular formula C20H15F3N2O2S and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione
Also Known As: 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione, A3817/0162040, 3'-(3-(trifluoromethyl)phenyl)-5,6-dihydrospiro[pyrrolo[3,2,1-ij]quinoline-1,2'-thiazolidine]-2,4'(4H)-dione
| Molecular Formula | C20H15F3N2O2S |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 3.931 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 404.08063 |
| Heavy Atoms | 28 |
| Complexity | 1022.7507 |
Chemical Identifiers
| CAS Number | 727389-52-8 |
|---|---|
| SMILES | C1CC2=C3C(=CC=C2)C4(C(=O)N3C1)N(C(=O)CS4)C5=CC=CC(=C5)C(F)(F)F |
Product Overview
3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione (CAS 727389-52-8), with molecular formula C20H15F3N2O2S and molecular weight 404.08 g/mol. IUPAC: 3-[3-(trifluoromethyl)phenyl]spiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene]-2',4-dione.
Chemical Property Profile of 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione
Property Insights of 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione
The XLogP value of 3.931 indicates that 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione has 0 hydrogen bond donor(s) and 3 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 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione?
The CAS number of 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione is 727389-52-8.
What is the molecular formula of 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione?
The molecular formula of 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione is C20H15F3N2O2S.
What is the molecular weight of 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione?
The molecular weight of 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione is 404.08 g/mol.
Where can I buy 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione?
You can request a quote for 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione?
Yes, KEHONG BIO provides custom synthesis services for 3'-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.