![butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate structure](/static/products/797/797014-92-7.png)
butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
TL;DR: butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate (CAS 797014-92-7) is a chemical compound with molecular formula C24H25N5O2 and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate
Also Known As: BRD-K48514910-001-01-6, butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate, butyl 4-((1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate, butyl 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate
| Molecular Formula | C24H25N5O2 |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 5.13284 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.20084 |
| Heavy Atoms | 31 |
| Complexity | 1214.6072 |
Chemical Identifiers
| CAS Number | 797014-92-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=C(C=C(C=C4)C)C |
Product Overview
butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate (CAS 797014-92-7), with molecular formula C24H25N5O2 and molecular weight 415.20 g/mol. IUPAC: butyl 4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate.
Chemical Property Profile of butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
Property Insights of butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
The XLogP value of 5.13284 indicates that butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate 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 butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate. Following Lipinski's Rule of Five, butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
The CAS number of butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate is 797014-92-7.
What is the molecular formula of butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
The molecular formula of butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate is C24H25N5O2.
What is the molecular weight of butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
The molecular weight of butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate is 415.20 g/mol.
Where can I buy butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
You can request a quote for butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.