![Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate structure](/static/products/895/895003-39-1.png)
Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate
TL;DR: Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate (CAS 895003-39-1) is a chemical compound with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
Also Known As: F2514-0529, methyl 2-[1-(2,4-dimethylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate, methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate, methyl 2-(1-(2,4-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate, methyl 2-(1-(2,4-dimethylphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
| Molecular Formula | C16H16N4O3 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 1.37204 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.12225 |
| Heavy Atoms | 23 |
| Complexity | 955.604 |
Chemical Identifiers
| CAS Number | 895003-39-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)OC)C |
Product Overview
Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate (CAS 895003-39-1), with molecular formula C16H16N4O3 and molecular weight 312.12 g/mol. IUPAC: methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate.
Chemical Property Profile of Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate
Property Insights of Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate
The XLogP value of 1.37204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate. The TPSA of 79.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate has 0 hydrogen bond donor(s) and 5 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 Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
The CAS number of Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate is 895003-39-1.
What is the molecular formula of Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
The molecular formula of Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate is C16H16N4O3.
What is the molecular weight of Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
The molecular weight of Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate is 312.12 g/mol.
Where can I buy Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
You can request a quote for Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.