![(1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one structure](/static/products/6966/696631-97-7.webp)
(1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
TL;DR: (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one (CAS 696631-97-7) is a chemical compound with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-ethyl-5-(6-methoxy-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one, A3394/0144027, (Z)-3-ethyl-5-(8-methoxy-4,4,6-trimethyl-2-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ylidene)-2-thioxothiazolidin-4-one, 3-ETHYL-5-[8-METHOXY-4,4,6-TRIMETHYL-2-OXO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-1(2H)-YLIDEN]-2-THIOXO-1,3-THIAZOLAN-4-ONE
| Molecular Formula | C20H20N2O3S2 |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 3.8286 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.09152 |
| Heavy Atoms | 27 |
| Complexity | 991.1861 |
Chemical Identifiers
| CAS Number | 696631-97-7 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/2\C3=CC(=CC4=C3N(C2=O)C(C=C4C)(C)C)OC)/SC1=S |
Product Overview
(1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one (CAS 696631-97-7), with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol. IUPAC: (5Z)-3-ethyl-5-(6-methoxy-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Property Insights of (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
The XLogP value of 3.8286 indicates that (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one 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 (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
The CAS number of (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is 696631-97-7.
What is the molecular formula of (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
The molecular formula of (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is C20H20N2O3S2.
What is the molecular weight of (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
The molecular weight of (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is 400.09 g/mol.
Where can I buy (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
You can request a quote for (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for (1Z)-1-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-8-methoxy-4,4,6-trimethyl-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.