![butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate structure](/static/products/797/797016-37-6.png)
butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
TL;DR: butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate (CAS 797016-37-6) is a chemical compound with molecular formula C23H23N5O2 and molecular weight 401.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate
Also Known As: BRD-K28637028-001-01-8, K405-4211, butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate, butyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate, butyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate
| Molecular Formula | C23H23N5O2 |
|---|---|
| Molecular Weight | 401.19 g/mol |
| LogP | 4.82442 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.18518 |
| Heavy Atoms | 30 |
| Complexity | 1167.9109 |
Chemical Identifiers
| CAS Number | 797016-37-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=CC(=C4)C |
Product Overview
butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate (CAS 797016-37-6), with molecular formula C23H23N5O2 and molecular weight 401.19 g/mol. IUPAC: butyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate.
Chemical Property Profile of butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
Property Insights of butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
The XLogP value of 4.82442 indicates that butyl 4-{[1-(3-methylphenyl)-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-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate. Following Lipinski's Rule of Five, butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate 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 butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
The CAS number of butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate is 797016-37-6.
What is the molecular formula of butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
The molecular formula of butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate is C23H23N5O2.
What is the molecular weight of butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
The molecular weight of butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate is 401.19 g/mol.
Where can I buy butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
You can request a quote for butyl 4-{[1-(3-methylphenyl)-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-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-{[1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.