![N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide structure](/static/products/578/578754-50-4.png)
N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
TL;DR: N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide (CAS 578754-50-4) is a chemical compound with molecular formula C23H22ClN5OS and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butylphenyl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
Also Known As: N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide, N-(2-tert-butylphenyl)-2-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide, N-(2-tert-butylphenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
| Molecular Formula | C23H22ClN5OS |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 5.4972 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.12335 |
| Heavy Atoms | 31 |
| Complexity | 1230.9346 |
Chemical Identifiers
| CAS Number | 578754-50-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)Cl |
Product Overview
N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide (CAS 578754-50-4), with molecular formula C23H22ClN5OS and molecular weight 451.12 g/mol. IUPAC: N-(2-tert-butylphenyl)-2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide.
Chemical Property Profile of N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
Property Insights of N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide
The XLogP value of 5.4972 indicates that N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-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 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)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 N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
The CAS number of N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide is 578754-50-4.
What is the molecular formula of N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
The molecular formula of N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide is C23H22ClN5OS.
What is the molecular weight of N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
The molecular weight of N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide is 451.12 g/mol.
Where can I buy N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
You can request a quote for N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-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-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(tert-butyl)phenyl)-2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.