![1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone structure](/static/products/862/862185-50-0.png)
1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
TL;DR: 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone (CAS 862185-50-0) is a chemical compound with molecular formula C26H20N4OS and molecular weight 436.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone
Also Known As: 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone, 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone, 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-1-(biphenyl-4-yl)ethanone
| Molecular Formula | C26H20N4OS |
|---|---|
| Molecular Weight | 436.14 g/mol |
| LogP | 5.5166 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.13577 |
| Heavy Atoms | 32 |
| Complexity | 1349.5317 |
Chemical Identifiers
| CAS Number | 862185-50-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5 |
Product Overview
1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone (CAS 862185-50-0), with molecular formula C26H20N4OS and molecular weight 436.14 g/mol. IUPAC: 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylphenyl)ethanone.
Chemical Property Profile of 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
Property Insights of 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
The XLogP value of 5.5166 indicates that 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The CAS number of 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is 862185-50-0.
What is the molecular formula of 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The molecular formula of 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is C26H20N4OS.
What is the molecular weight of 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The molecular weight of 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is 436.14 g/mol.
Where can I buy 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
You can request a quote for 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-([1,1'-biphenyl]-4-yl)-2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.