![2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione structure](/static/products/898/898922-87-7.png)
2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
TL;DR: 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione (CAS 898922-87-7) is a chemical compound with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)-6-[(4-methylphenyl)sulfanylmethyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
Also Known As: 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione, 2-(4,6-DIMETHYL-2-PYRIMIDINYL)-6-{[(4-METHYLPHENYL)SULFANYL]METHYL}-1H-PYRAZOLO[3,4-B]PYRIDINE-3,4(2H,7H)-DIONE, 2-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one, 2-(4,6-dimethylpyrimidin-2-yl)-6-((p-tolylthio)methyl)-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione, 2-(4,6-dimethylpyrimidin-2-yl)-6-[(4-methylphenyl)sulfanylmethyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
| Molecular Formula | C20H19N5O2S |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 3.01466 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.12595 |
| Heavy Atoms | 28 |
| Complexity | 1264.683 |
Chemical Identifiers
| CAS Number | 898922-87-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=CC(=O)C3=C(N2)NN(C3=O)C4=NC(=CC(=N4)C)C |
Product Overview
2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione (CAS 898922-87-7), with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-6-[(4-methylphenyl)sulfanylmethyl]-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
Chemical Property Profile of 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
Property Insights of 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
The XLogP value of 3.01466 indicates that 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione. Following Lipinski's Rule of Five, 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione has 2 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 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
The CAS number of 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione is 898922-87-7.
What is the molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
The molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione is C20H19N5O2S.
What is the molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
The molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione is 393.13 g/mol.
Where can I buy 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
You can request a quote for 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-dimethylpyrimidin-2-yl)-6-{[(4-methylphenyl)sulfanyl]methyl}-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.