![2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide structure](/static/products/5870/587002-19-5.webp)
2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide
TL;DR: 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide (CAS 587002-19-5) is a chemical compound with molecular formula C21H18ClN5O2S and molecular weight 439.09 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-(4-ethoxyphenyl)acetamide
Also Known As: 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide, 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide, F1874-0649, 2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C21H18ClN5O2S |
|---|---|
| Molecular Weight | 439.09 g/mol |
| LogP | 4.5984 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.08698 |
| Heavy Atoms | 30 |
| Complexity | 1162.4641 |
Chemical Identifiers
| CAS Number | 587002-19-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)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-(4-ethoxyphenyl)acetamide (CAS 587002-19-5), with molecular formula C21H18ClN5O2S and molecular weight 439.09 g/mol. IUPAC: 2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide
Property Insights of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide
The XLogP value of 4.5984 indicates that 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 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-(4-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 6 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-(4-ethoxyphenyl)acetamide?
The CAS number of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide is 587002-19-5.
What is the molecular formula of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide?
The molecular formula of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide is C21H18ClN5O2S.
What is the molecular weight of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide?
The molecular weight of 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide is 439.09 g/mol.
Where can I buy 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide?
You can request a quote for 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)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-(4-ethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)-N-(4-ethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.