![3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one structure](/static/products/4426/442652-87-1.webp)
3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
TL;DR: 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one (CAS 442652-87-1) is a chemical compound with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(3-nitrophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
Also Known As: J3.488.252E, 3-methyl-4-(3-nitrophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one, F1647-0007, 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one, 3-methyl-4-(3-nitrophenyl)-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one
| Molecular Formula | C13H12N4O3 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 2.10042 |
| Topological Polar Surface Area | 100.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.09094 |
| Heavy Atoms | 20 |
| Complexity | 707.39185 |
Chemical Identifiers
| CAS Number | 442652-87-1 |
|---|---|
| SMILES | CC1=C2C(CC(=O)NC2=NN1)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one (CAS 442652-87-1), with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol. IUPAC: 3-methyl-4-(3-nitrophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
Chemical Property Profile of 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
Property Insights of 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
The XLogP value of 2.10042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one. The TPSA of 100.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one. Following Lipinski's Rule of Five, 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one 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 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one?
The CAS number of 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one is 442652-87-1.
What is the molecular formula of 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one?
The molecular formula of 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one is C13H12N4O3.
What is the molecular weight of 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one?
The molecular weight of 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one is 272.09 g/mol.
Where can I buy 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one?
You can request a quote for 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-(3-nitrophenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.