![2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide structure](/static/products/877/877796-80-0.png)
2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide
TL;DR: 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide (CAS 877796-80-0) is a chemical compound with molecular formula C17H18ClN5OS and molecular weight 375.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N,N-diethylacetamide
Also Known As: 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide, 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylacetamide, F1874-0687, 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N,N-diethylacetamide
| Molecular Formula | C17H18ClN5OS |
|---|---|
| Molecular Weight | 375.09 g/mol |
| LogP | 3.4294 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.09207 |
| Heavy Atoms | 25 |
| Complexity | 876.3805 |
Chemical Identifiers
| CAS Number | 877796-80-0 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl |
Product Overview
2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide (CAS 877796-80-0), with molecular formula C17H18ClN5OS and molecular weight 375.09 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N,N-diethylacetamide.
Chemical Property Profile of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide
Property Insights of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide
The XLogP value of 3.4294 indicates that 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide. Following Lipinski's Rule of Five, 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide has 0 hydrogen bond donor(s) and 5 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-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide?
The CAS number of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide is 877796-80-0.
What is the molecular formula of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide?
The molecular formula of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide is C17H18ClN5OS.
What is the molecular weight of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide?
The molecular weight of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide is 375.09 g/mol.
Where can I buy 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide?
You can request a quote for 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N,N-diethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.