![N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide structure](/static/products/848/848931-97-5.png)
N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
TL;DR: N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide (CAS 848931-97-5) is a chemical compound with molecular formula C22H20ClN5O2S and molecular weight 453.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
Also Known As: N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C22H20ClN5O2S |
|---|---|
| Molecular Weight | 453.10 g/mol |
| LogP | 4.82514 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.10263 |
| Heavy Atoms | 31 |
| Complexity | 1256.9839 |
Chemical Identifiers
| CAS Number | 848931-97-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NC4=C(C=C(C(=C4)C)Cl)OC |
Product Overview
N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide (CAS 848931-97-5), with molecular formula C22H20ClN5O2S and molecular weight 453.10 g/mol. IUPAC: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
Chemical Property Profile of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
Property Insights of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
The XLogP value of 4.82514 indicates that N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)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 N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)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 N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
The CAS number of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide is 848931-97-5.
What is the molecular formula of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
The molecular formula of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide is C22H20ClN5O2S.
What is the molecular weight of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
The molecular weight of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide is 453.10 g/mol.
Where can I buy N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
You can request a quote for N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2-methoxy-5-methylphenyl)-2-((1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.