![5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione structure](/static/products/904/904007-97-2.png)
5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
TL;DR: 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione (CAS 904007-97-2) is a chemical compound with molecular formula C20H18ClN5O2 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
Also Known As: 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione, 2-(4,6-dimethylpyrimidin-2-yl)-5-[(4-chlorophenyl)methyl]-6-methyl-7-hydro-3-p yrazolino[3,4-b]pyridine-3,4-dione, 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-6-methyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one, 5-[(4-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione, 5-[(4-CHLOROPHENYL)METHYL]-2-(4,6-DIMETHYLPYRIMIDIN-2-YL)-6-METHYL-1H,2H,3H,4H,7H-PYRAZOLO[3,4-B]PYRIDINE-3,4-DIONE
| Molecular Formula | C20H18ClN5O2 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 2.96656 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1149 |
| Heavy Atoms | 28 |
| Complexity | 1295.4166 |
Chemical Identifiers
| CAS Number | 904007-97-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=O)C3=C(N2)NC(=C(C3=O)CC4=CC=C(C=C4)Cl)C)C |
Product Overview
5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione (CAS 904007-97-2), with molecular formula C20H18ClN5O2 and molecular weight 395.11 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
Chemical Property Profile of 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
Property Insights of 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
The XLogP value of 2.96656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione. Following Lipinski's Rule of Five, 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione has 2 hydrogen bond donor(s) and 4 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 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
The CAS number of 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione is 904007-97-2.
What is the molecular formula of 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
The molecular formula of 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione is C20H18ClN5O2.
What is the molecular weight of 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
The molecular weight of 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione is 395.11 g/mol.
Where can I buy 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
You can request a quote for 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-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 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-methyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorobenzyl)-2-(4,6-dimethylpyrimidin-2-yl)-6-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.