![N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide structure](/static/products/4778/477867-69-9.webp)
N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide
TL;DR: N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide (CAS 477867-69-9) is a chemical compound with molecular formula C22H22N6O4S and molecular weight 466.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide
Also Known As: N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide, N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide, N-[1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzene-1-sulfonamide
| Molecular Formula | C22H22N6O4S |
|---|---|
| Molecular Weight | 466.14 g/mol |
| LogP | 4.26572 |
| Topological Polar Surface Area | 132.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.14233 |
| Heavy Atoms | 33 |
| Complexity | 1454.046 |
Chemical Identifiers
| CAS Number | 477867-69-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C3=NC=NC(=C23)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(C)(C)C |
Product Overview
N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide (CAS 477867-69-9), with molecular formula C22H22N6O4S and molecular weight 466.14 g/mol. IUPAC: N-[1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide.
Chemical Property Profile of N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide
Property Insights of N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide
The XLogP value of 4.26572 indicates that N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide has 1 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 N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide?
The CAS number of N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide is 477867-69-9.
What is the molecular formula of N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide?
The molecular formula of N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide is C22H22N6O4S.
What is the molecular weight of N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide?
The molecular weight of N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide is 466.14 g/mol.
Where can I buy N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide?
You can request a quote for N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.