![1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone structure](/static/products/862/862197-96-4.png)
1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
TL;DR: 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone (CAS 862197-96-4) is a chemical compound with molecular formula C19H12Cl2N4OS and molecular weight 414.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone
Also Known As: 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone, 1-(2-chlorophenyl)-2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanone, 1-(2-chlorophenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}ethanone
| Molecular Formula | C19H12Cl2N4OS |
|---|---|
| Molecular Weight | 414.01 g/mol |
| LogP | 5.0973 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0109 |
| Heavy Atoms | 27 |
| Complexity | 1128.2299 |
Chemical Identifiers
| CAS Number | 862197-96-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl)Cl |
Product Overview
1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone (CAS 862197-96-4), with molecular formula C19H12Cl2N4OS and molecular weight 414.01 g/mol. IUPAC: 1-(2-chlorophenyl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone.
Chemical Property Profile of 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
Property Insights of 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone
The XLogP value of 5.0973 indicates that 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-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-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-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-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The CAS number of 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is 862197-96-4.
What is the molecular formula of 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The molecular formula of 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is C19H12Cl2N4OS.
What is the molecular weight of 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
The molecular weight of 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone is 414.01 g/mol.
Where can I buy 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
You can request a quote for 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-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-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorophenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.