![4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine structure](/static/products/7170/717098-99-2.webp)
4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine
TL;DR: 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine (CAS 717098-99-2) is a chemical compound with molecular formula C27H25BrN6S and molecular weight 544.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(2-bromophenyl)-(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
Also Known As: 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine, 1H-Pyrazolo[3,4-d]pyrimidine, 4-[4-[(2-bromophenyl)(3-methyl-2-thienyl)methyl]-1-piperazinyl]-1-phenyl-, 4-[4-[(2-bromophenyl)-(3-methyl-2-thienyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine, 4-[4-[(2-bromophenyl)-(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine
| Molecular Formula | C27H25BrN6S |
|---|---|
| Molecular Weight | 544.10 g/mol |
| LogP | 5.85952 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 544.1045 |
| Heavy Atoms | 35 |
| Complexity | 1455.118 |
Chemical Identifiers
| CAS Number | 717098-99-2 |
|---|---|
| SMILES | CC1=C(SC=C1)C(C2=CC=CC=C2Br)N3CCN(CC3)C4=NC=NC5=C4C=NN5C6=CC=CC=C6 |
Product Overview
4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine (CAS 717098-99-2), with molecular formula C27H25BrN6S and molecular weight 544.10 g/mol. IUPAC: 4-[4-[(2-bromophenyl)-(3-methylthiophen-2-yl)methyl]piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.
Chemical Property Profile of 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine
Property Insights of 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine
The XLogP value of 5.85952 indicates that 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.08 Ų, 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine has 0 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 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine?
The CAS number of 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine is 717098-99-2.
What is the molecular formula of 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine?
The molecular formula of 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine is C27H25BrN6S.
What is the molecular weight of 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine?
The molecular weight of 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine is 544.10 g/mol.
Where can I buy 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine?
You can request a quote for 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-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 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-((2-Bromophenyl)(3-methylthiophen-2-yl)methyl)piperazin-1-yl)-1-phenyl-1h-pyrazolo[3,4-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.