![ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate structure](/static/products/866/866844-58-8.png)
ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate
TL;DR: ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate (CAS 866844-58-8) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]benzoate
Also Known As: ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate, F1605-0983, ethyl 4-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate, ethyl 4-(2-(1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamido)benzoate
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 0.9454 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 1019.80444 |
Chemical Identifiers
| CAS Number | 866844-58-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C |
Product Overview
ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate (CAS 866844-58-8), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: ethyl 4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate
Property Insights of ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate
The XLogP value of 0.9454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)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-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate?
The CAS number of ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate is 866844-58-8.
What is the molecular formula of ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate?
The molecular formula of ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate is C17H17N5O4.
What is the molecular weight of ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate?
The molecular weight of ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate is 355.13 g/mol.
Where can I buy ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate?
You can request a quote for ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)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-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.