![2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide structure](/static/products/577/577980-86-0.png)
2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CAS 577980-86-0) is a chemical compound with molecular formula C20H12Cl2F3N5OS and molecular weight 497.01 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-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide, N-(4-chloro-3-(trifluoromethyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
| Molecular Formula | C20H12Cl2F3N5OS |
|---|---|
| Molecular Weight | 497.01 g/mol |
| LogP | 5.8719 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.0092 |
| Heavy Atoms | 32 |
| Complexity | 1294.8801 |
Chemical Identifiers
| CAS Number | 577980-86-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)Cl |
Product Overview
2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CAS 577980-86-0), with molecular formula C20H12Cl2F3N5OS and molecular weight 497.01 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
The XLogP value of 5.8719 indicates that 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has 1 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-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is 577980-86-0.
What is the molecular formula of 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is C20H12Cl2F3N5OS.
What is the molecular weight of 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is 497.01 g/mol.
Where can I buy 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide 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)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.