![butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate structure](/static/products/797/797017-39-1.png)
butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
TL;DR: butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate (CAS 797017-39-1) is a chemical compound with molecular formula C22H20ClN5O2 and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate
Also Known As: BRD-K27850605-001-01-9, butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate, butyl 4-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate, butyl 4-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate, Butyl 4-[[7-(4-chlorophenyl)-3,5,7,8-tetrazabicyclo[4.3.0]nona-1,3,5,8-tetraen-2-yl]amino]benzoate
| Molecular Formula | C22H20ClN5O2 |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 5.1694 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.13055 |
| Heavy Atoms | 30 |
| Complexity | 1156.5953 |
Chemical Identifiers
| CAS Number | 797017-39-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=C(C=C4)Cl |
Product Overview
butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate (CAS 797017-39-1), with molecular formula C22H20ClN5O2 and molecular weight 421.13 g/mol. IUPAC: butyl 4-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate.
Chemical Property Profile of butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
Property Insights of butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate
The XLogP value of 5.1694 indicates that butyl 4-{[1-(4-chlorophenyl)-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-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate. Following Lipinski's Rule of Five, butyl 4-{[1-(4-chlorophenyl)-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-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
The CAS number of butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate is 797017-39-1.
What is the molecular formula of butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
The molecular formula of butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate is C22H20ClN5O2.
What is the molecular weight of butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
The molecular weight of butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate is 421.13 g/mol.
Where can I buy butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
You can request a quote for butyl 4-{[1-(4-chlorophenyl)-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-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.