![ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate structure](/static/products/361/361986-30-3.png)
ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
TL;DR: ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate (CAS 361986-30-3) is a chemical compound with molecular formula C15H15N5O2 and molecular weight 297.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Also Known As: AJ-292/40763139, BRD-K75767848-001-07-0, ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate, ethyl 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate, ethyl 4-((1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzoate
| Molecular Formula | C15H15N5O2 |
|---|---|
| Molecular Weight | 297.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.1226 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 361986-30-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C |
| InChIKey | XIZWAHZUOWTEOK-UHFFFAOYSA-N |
Product Overview
ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate (CAS 361986-30-3), with molecular formula C15H15N5O2 and molecular weight 297.12 g/mol. IUPAC: ethyl 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate.
Chemical Property Profile of ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
Property Insights of ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[(1-methyl-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-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate?
The CAS number of ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate is 361986-30-3.
What is the molecular formula of ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate?
The molecular formula of ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate is C15H15N5O2.
What is the molecular weight of ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate?
The molecular weight of ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate is 297.12 g/mol.
Where can I buy ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate?
You can request a quote for ethyl 4-[(1-methyl-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-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.