![(2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile structure](/static/products/669/669747-63-1.png)
(2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile
TL;DR: (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile (CAS 669747-63-1) is a chemical compound with molecular formula C25H18N4O2S2 and molecular weight 470.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(13-ethoxy-7,7-dimethyl-9-oxo-4-phenyl-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraen-10-ylidene)propanedinitrile
Also Known As: (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile, (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-ylidene)malononitrile, 2-(2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-5,7,9,10-tetrahydro-4H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4-ylidene)malononitrile, 2-[2-ETHOXY-7,7-DIMETHYL-5-OXO-9-PHENYL-10-THIOXO-9,10-DIHYDRO-7H-ISOTHIAZOLO[5,4-C]PYRROLO[3,2,1-IJ]QUINOLIN-4(5H)-YLIDEN]MALONONITRILE
| Molecular Formula | C25H18N4O2S2 |
|---|---|
| Molecular Weight | 470.09 g/mol |
| LogP | 5.73005 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.08713 |
| Heavy Atoms | 33 |
| Complexity | 1498.6493 |
Chemical Identifiers
| CAS Number | 669747-63-1 |
|---|---|
| SMILES | CCOC1=CC2=C3C(=C1)C(=C(C#N)C#N)C(=O)N3C(C4=C2C(=S)N(S4)C5=CC=CC=C5)(C)C |
Product Overview
(2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile (CAS 669747-63-1), with molecular formula C25H18N4O2S2 and molecular weight 470.09 g/mol. IUPAC: 2-(13-ethoxy-7,7-dimethyl-9-oxo-4-phenyl-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraen-10-ylidene)propanedinitrile.
Chemical Property Profile of (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile
Property Insights of (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile
The XLogP value of 5.73005 indicates that (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile. Following Lipinski's Rule of Five, (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile has 0 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 (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile?
The CAS number of (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile is 669747-63-1.
What is the molecular formula of (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile?
The molecular formula of (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile is C25H18N4O2S2.
What is the molecular weight of (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile?
The molecular weight of (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile is 470.09 g/mol.
Where can I buy (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile?
You can request a quote for (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (2-ethoxy-7,7-dimethyl-5-oxo-9-phenyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.