![2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone structure](/static/products/862/862199-33-5.png)
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone
TL;DR: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone (CAS 862199-33-5) is a chemical compound with molecular formula C20H14Cl2N4OS and molecular weight 428.03 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-(3,4-dichlorophenyl)ethanone
Also Known As: 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone, 2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone, 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone
| Molecular Formula | C20H14Cl2N4OS |
|---|---|
| Molecular Weight | 428.03 g/mol |
| LogP | 5.1564 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.02655 |
| Heavy Atoms | 28 |
| Complexity | 1147.627 |
Chemical Identifiers
| CAS Number | 862199-33-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone (CAS 862199-33-5), with molecular formula C20H14Cl2N4OS and molecular weight 428.03 g/mol. IUPAC: 2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-1-(3,4-dichlorophenyl)ethanone.
Chemical Property Profile of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone
Property Insights of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone
The XLogP value of 5.1564 indicates that 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)ethanone. Following Lipinski's Rule of Five, 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)ethanone?
The CAS number of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone is 862199-33-5.
What is the molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone?
The molecular formula of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone is C20H14Cl2N4OS.
What is the molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone?
The molecular weight of 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone is 428.03 g/mol.
Where can I buy 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone?
You can request a quote for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-1-(3,4-dichlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.