![3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione structure](/static/products/7273/727389-49-3.webp)
3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione
TL;DR: 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione (CAS 727389-49-3) is a chemical compound with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6'-ethyl-9',11',11'-trimethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione
Also Known As: 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione, 3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-8-ethyl-4,4,6-trimethylspiro[pyrrolo[3,2,1-ij]quinoline-1,2'-thiazolidine]-2,4'(4H)-dione
| Molecular Formula | C26H26N2O4S |
|---|---|
| Molecular Weight | 462.16 g/mol |
| LogP | 4.4951 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.16132 |
| Heavy Atoms | 33 |
| Complexity | 1267.1785 |
Chemical Identifiers
| CAS Number | 727389-49-3 |
|---|---|
| SMILES | CCC1=CC2=C3C(=C1)C4(C(=O)N3C(C=C2C)(C)C)N(C(=O)CS4)C5=CC6=C(C=C5)OCCO6 |
Product Overview
3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione (CAS 727389-49-3), with molecular formula C26H26N2O4S and molecular weight 462.16 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6'-ethyl-9',11',11'-trimethylspiro[1,3-thiazolidine-2,3'-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene]-2',4-dione.
Chemical Property Profile of 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione
Property Insights of 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione
The XLogP value of 4.4951 indicates that 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-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 59.08 Ų, 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-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'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-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 5 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'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione?
The CAS number of 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione is 727389-49-3.
What is the molecular formula of 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione?
The molecular formula of 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione is C26H26N2O4S.
What is the molecular weight of 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione?
The molecular weight of 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-4H,4'H-spiro[pyrrolo[3,2,1-ij]quinoline-1,2'-[1,3]thiazolidine]-2,4'-dione is 462.16 g/mol.
Where can I buy 3'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-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'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-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'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-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'-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-ethyl-4,4,6-trimethyl-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.