![Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate structure](/static/products/797/797015-99-7.png)
Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate
TL;DR: Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate (CAS 797015-99-7) is a chemical compound with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Also Known As: BRD-K98765368-001-01-0, butyl 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate, butyl 4-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate, butyl 4-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate, BUTYL 4-({1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL}AMINO)BENZOATE
| Molecular Formula | C22H21N5O2 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 4.516 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.16953 |
| Heavy Atoms | 29 |
| Complexity | 1107.2278 |
Chemical Identifiers
| CAS Number | 797015-99-7 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4 |
Product Overview
Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate (CAS 797015-99-7), with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol. IUPAC: butyl 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate.
Chemical Property Profile of Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate
Property Insights of Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate
The XLogP value of 4.516 indicates that Butyl 4-({1-phenyl-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-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate. Following Lipinski's Rule of Five, Butyl 4-({1-phenyl-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-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate?
The CAS number of Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate is 797015-99-7.
What is the molecular formula of Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate?
The molecular formula of Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate is C22H21N5O2.
What is the molecular weight of Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate?
The molecular weight of Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate is 387.17 g/mol.
Where can I buy Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate?
You can request a quote for Butyl 4-({1-phenyl-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-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-({1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-YL}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.