![2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone structure](/static/products/714/714232-73-2.png)
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone
TL;DR: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone (CAS 714232-73-2) is a chemical compound with molecular formula C20H15N5O3S and molecular weight 405.09 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-nitrophenyl)ethanone
Also Known As: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone, 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-nitrophenyl)ethanone, 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-1-(4-nitrophenyl)ethanone
| Molecular Formula | C20H15N5O3S |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 3.7578 |
| Topological Polar Surface Area | 103.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.08957 |
| Heavy Atoms | 29 |
| Complexity | 1175.9335 |
Chemical Identifiers
| CAS Number | 714232-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone (CAS 714232-73-2), with molecular formula C20H15N5O3S and molecular weight 405.09 g/mol. IUPAC: 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone
Property Insights of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone
The XLogP value of 3.7578 indicates that 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone 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 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone?
The CAS number of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone is 714232-73-2.
What is the molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone?
The molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone is C20H15N5O3S.
What is the molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone?
The molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone is 405.09 g/mol.
Where can I buy 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone?
You can request a quote for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.