![2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone structure](/static/products/586/586995-65-5.png)
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone
TL;DR: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone (CAS 586995-65-5) is a chemical compound with molecular formula C24H18N4OS and molecular weight 410.12 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-naphthalen-2-ylethanone
Also Known As: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone, 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-naphthalen-2-ylethanone, 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-1-(naphthalen-2-yl)ethanone
| Molecular Formula | C24H18N4OS |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 5.0028 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.12012 |
| Heavy Atoms | 30 |
| Complexity | 1347.4696 |
Chemical Identifiers
| CAS Number | 586995-65-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC5=CC=CC=C5C=C4 |
Product Overview
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone (CAS 586995-65-5), with molecular formula C24H18N4OS and molecular weight 410.12 g/mol. IUPAC: 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-naphthalen-2-ylethanone.
Chemical Property Profile of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone
Property Insights of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone
The XLogP value of 5.0028 indicates that 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)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 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone. Following Lipinski's Rule of Five, 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)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 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone?
The CAS number of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone is 586995-65-5.
What is the molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone?
The molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone is C24H18N4OS.
What is the molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone?
The molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone is 410.12 g/mol.
Where can I buy 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone?
You can request a quote for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)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-(naphthalen-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(naphthalen-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.