![2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide structure](/static/products/5779/577990-32-0.webp)
2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide
TL;DR: 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide (CAS 577990-32-0) is a chemical compound with molecular formula C19H13ClFN5OS and molecular weight 413.05 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-(3-fluorophenyl)acetamide
Also Known As: 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide, 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(3-fluorophenyl)acetamide, F1874-0642, 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(3-fluorophenyl)acetamide
| Molecular Formula | C19H13ClFN5OS |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | 4.3388 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.05133 |
| Heavy Atoms | 28 |
| Complexity | 1148.7452 |
Chemical Identifiers
| CAS Number | 577990-32-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide (CAS 577990-32-0), with molecular formula C19H13ClFN5OS and molecular weight 413.05 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3-fluorophenyl)acetamide.
Chemical Property Profile of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide
Property Insights of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide
The XLogP value of 4.3388 indicates that 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)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)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide has 1 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-(3-fluorophenyl)acetamide?
The CAS number of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide is 577990-32-0.
What is the molecular formula of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide?
The molecular formula of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide is C19H13ClFN5OS.
What is the molecular weight of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide?
The molecular weight of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide is 413.05 g/mol.
Where can I buy 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide?
You can request a quote for 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)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)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(3-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.