![[1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile structure](/static/products/879/879616-69-0.png)
[1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile
TL;DR: [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile (CAS 879616-69-0) is a chemical compound with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-6,9,11,11-tetramethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]propanedinitrile
Also Known As: [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile|[1-(4-hydroxy-2-sulfanyl-1H-imidazol-5-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile|2-(1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-yl)malononitrile
| Molecular Formula | C21H19N5O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.57787 |
| Topological Polar Surface Area | 119.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.12595 |
| Heavy Atoms | 29 |
| Complexity | 1239.3248 |
Chemical Identifiers
| CAS Number | 879616-69-0 |
|---|---|
| SMILES | CC1=CC2=C3C(=C1)C(C(=O)N3C(C=C2C)(C)C)(C4=C(NC(=S)N4)O)C(C#N)C#N |
Product Overview
[1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile (CAS 879616-69-0), with molecular formula C21H19N5O2S and molecular weight 405.13 g/mol. IUPAC: 2-[3-(5-hydroxy-2-sulfanylidene-1,3-dihydroimidazol-4-yl)-6,9,11,11-tetramethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]propanedinitrile.
Chemical Property Profile of [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile
Property Insights of [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile
The XLogP value of 3.57787 indicates that [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile. Following Lipinski's Rule of Five, [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile has 3 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 [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile?
The CAS number of [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile is 879616-69-0.
What is the molecular formula of [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile?
The molecular formula of [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile is C21H19N5O2S.
What is the molecular weight of [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile?
The molecular weight of [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile is 405.13 g/mol.
Where can I buy [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile?
You can request a quote for [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(5-hydroxy-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-4,4,6,8-tetramethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.