![4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile structure](/static/products/1118/1118786-98-3.webp)
4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile
TL;DR: 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile (CAS 1118786-98-3) is a chemical compound with molecular formula C24H22N6O and molecular weight 410.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-4-yl]benzonitrile
Also Known As: 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile, 4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-4,6,7,8-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile
| Molecular Formula | C24H22N6O |
|---|---|
| Molecular Weight | 410.19 g/mol |
| LogP | 4.02374 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.18552 |
| Heavy Atoms | 31 |
| Complexity | 1272.5891 |
Chemical Identifiers
| CAS Number | 1118786-98-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C3=C(C(C4=C(N3)CCCC4=O)C5=CC=C(C=C5)C#N)C(=N2)C)C |
Product Overview
4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile (CAS 1118786-98-3), with molecular formula C24H22N6O and molecular weight 410.19 g/mol. IUPAC: 4-[1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-4-yl]benzonitrile.
Chemical Property Profile of 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile
Property Insights of 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile
The XLogP value of 4.02374 indicates that 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile. Following Lipinski's Rule of Five, 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile has 1 hydrogen bond donor(s) and 6 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 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile?
The CAS number of 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile is 1118786-98-3.
What is the molecular formula of 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile?
The molecular formula of 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile is C24H22N6O.
What is the molecular weight of 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile?
The molecular weight of 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile is 410.19 g/mol.
Where can I buy 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile?
You can request a quote for 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-(4,6-Dimethyl-2-pyrimidinyl)-2,4,5,6,7,8-hexahydro-3-methyl-5-oxo-1H-pyrazolo[3,4-b]quinolin-4-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.