![1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine structure](/static/products/3938/393845-90-4.webp)
1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
TL;DR: 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine (CAS 393845-90-4) is a chemical compound with molecular formula C22H21N7O2 and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
Also Known As: ChemDiv1_014239, BRD-K89378168-001-01-5, 1-(3-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine, 1-(3-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine, 4-(4-(4-nitrophenyl)piperazin-1-yl)-1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidine
| Molecular Formula | C22H21N7O2 |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 3.35872 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.17566 |
| Heavy Atoms | 31 |
| Complexity | 1244.4518 |
Chemical Identifiers
| CAS Number | 393845-90-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine (CAS 393845-90-4), with molecular formula C22H21N7O2 and molecular weight 415.18 g/mol. IUPAC: 1-(3-methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
Property Insights of 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
The XLogP value of 3.35872 indicates that 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine has 0 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 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine?
The CAS number of 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine is 393845-90-4.
What is the molecular formula of 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine?
The molecular formula of 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine is C22H21N7O2.
What is the molecular weight of 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine?
The molecular weight of 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine is 415.18 g/mol.
Where can I buy 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine?
You can request a quote for 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylphenyl)-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.