![ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate structure](/static/products/385/385417-38-9.png)
ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate
TL;DR: ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate (CAS 385417-38-9) is a chemical compound with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate
Also Known As: ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate, ethyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate, ethyl 4-{[(4Z)-1-(3-methylphenyl)-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ylidene]amino}benzoate
| Molecular Formula | C21H19N5O2 |
|---|---|
| Molecular Weight | 373.15 g/mol |
| LogP | 4.04422 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.15387 |
| Heavy Atoms | 28 |
| Complexity | 1135.2172 |
Chemical Identifiers
| CAS Number | 385417-38-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=CC(=C4)C |
Product Overview
ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate (CAS 385417-38-9), with molecular formula C21H19N5O2 and molecular weight 373.15 g/mol. IUPAC: ethyl 4-[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoate.
Chemical Property Profile of ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate
Property Insights of ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate
The XLogP value of 4.04422 indicates that ethyl 4-((1-(m-tolyl)-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 ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-((1-(m-tolyl)-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 ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate?
The CAS number of ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate is 385417-38-9.
What is the molecular formula of ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate?
The molecular formula of ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate is C21H19N5O2.
What is the molecular weight of ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate?
The molecular weight of ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate is 373.15 g/mol.
Where can I buy ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate?
You can request a quote for ethyl 4-((1-(m-tolyl)-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 ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((1-(m-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.