![3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid structure](/static/products/1098/1098062-46-4.webp)
3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid
TL;DR: 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid (CAS 1098062-46-4) is a chemical compound with molecular formula C27H24N4O6S and molecular weight 532.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-benzamido-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-4-methoxybenzenesulfonic acid
Also Known As: 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid, 3-(5-benzamido-3-methyl-6-oxo-1-phenyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl)-4-methoxybenzenesulfonic acid
| Molecular Formula | C27H24N4O6S |
|---|---|
| Molecular Weight | 532.14 g/mol |
| LogP | 3.31862 |
| Topological Polar Surface Area | 139.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.14166 |
| Heavy Atoms | 38 |
| Complexity | 1635.0458 |
Chemical Identifiers
| CAS Number | 1098062-46-4 |
|---|---|
| SMILES | CC1=NN(C2=C1C(C(C(=O)N2)NC(=O)C3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)O)OC)C5=CC=CC=C5 |
Product Overview
3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid (CAS 1098062-46-4), with molecular formula C27H24N4O6S and molecular weight 532.14 g/mol. IUPAC: 3-(5-benzamido-3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-4-methoxybenzenesulfonic acid.
Chemical Property Profile of 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid
Property Insights of 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid
The XLogP value of 3.31862 indicates that 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid. Following Lipinski's Rule of Five, 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid?
The CAS number of 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid is 1098062-46-4.
What is the molecular formula of 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid?
The molecular formula of 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid is C27H24N4O6S.
What is the molecular weight of 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid?
The molecular weight of 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid is 532.14 g/mol.
Where can I buy 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid?
You can request a quote for 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-(Benzoylamino)-4,5,6,7-tetrahydro-3-methyl-6-oxo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl]-4-methoxybenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.