![Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate structure](/static/products/895/895018-90-3.png)
Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate
TL;DR: Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate (CAS 895018-90-3) is a chemical compound with molecular formula C20H15ClN4O3 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
Also Known As: AB00687690-01, F2514-0249, benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate, benzyl 2-(1-(3-chlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate, benzyl 2-[1-(3-chlorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate
| Molecular Formula | C20H15ClN4O3 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 2.979 |
| Topological Polar Surface Area | 79.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.08328 |
| Heavy Atoms | 28 |
| Complexity | 1201.033 |
Chemical Identifiers
| CAS Number | 895018-90-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl |
Product Overview
Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate (CAS 895018-90-3), with molecular formula C20H15ClN4O3 and molecular weight 394.08 g/mol. IUPAC: benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate.
Chemical Property Profile of Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate
Property Insights of Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate
The XLogP value of 2.979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-[1-(3-chlorophenyl)-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 Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate. Following Lipinski's Rule of Five, Benzyl 2-[1-(3-chlorophenyl)-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 Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
The CAS number of Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate is 895018-90-3.
What is the molecular formula of Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
The molecular formula of Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate is C20H15ClN4O3.
What is the molecular weight of Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
The molecular weight of Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate is 394.08 g/mol.
Where can I buy Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
You can request a quote for Benzyl 2-[1-(3-chlorophenyl)-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 Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.