1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester
TL;DR: 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester (CAS 220752-07-8) is a chemical compound with molecular formula C21H13Cl2N3O5 and molecular weight 457.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(3,4-dichlorophenyl)-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl]-2-oxoacetate
Also Known As: 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester, Methyl [6-(3,4-dichlorophenyl)-3,4-dioxo-2-phenyl-2,3,4,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl](oxo)acetate, 1H-Pyrazolo[3,4-b]pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester, methyl 2-[6-(3,4-dichlorophenyl)-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl]-2-oxoacetate, Methyl 2-[6-(3,4-dichlorophenyl)-4-hydroxy-3-oxo-2-phenyl-1H,2H,3H-pyrazolo[3,4-b]pyridin-5-yl]-2-oxoacetate
| Molecular Formula | C21H13Cl2N3O5 |
|---|---|
| Molecular Weight | 457.02 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.02322 |
| Heavy Atoms | 31 |
| Complexity | 893.0 |
Chemical Identifiers
| CAS Number | 220752-07-8 |
|---|---|
| SMILES | COC(=O)C(=O)C1=C(NC2=C(C1=O)C(=O)N(N2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl |
| InChIKey | GEYXHVNVWLDESC-UHFFFAOYSA-N |
Product Overview
1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester (CAS 220752-07-8), with molecular formula C21H13Cl2N3O5 and molecular weight 457.02 g/mol. IUPAC: methyl 2-[6-(3,4-dichlorophenyl)-3,4-dioxo-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridin-5-yl]-2-oxoacetate.
Chemical Property Profile of 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester
Property Insights of 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester
The XLogP value of 4.4 indicates that 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester. Following Lipinski's Rule of Five, 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester has 2 hydrogen bond donor(s) and 7 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 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester?
The CAS number of 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester is 220752-07-8.
What is the molecular formula of 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester?
The molecular formula of 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester is C21H13Cl2N3O5.
What is the molecular weight of 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester?
The molecular weight of 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester is 457.02 g/mol.
Where can I buy 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester?
You can request a quote for 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazolo(3,4-b)pyridine-5-acetic acid, 6-(3,4-dichlorophenyl)-2,3-dihydro-4-hydroxy-a,3-dioxo-2-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.