![2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile structure](/static/products/863/863446-98-4.png)
2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile
TL;DR: 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile (CAS 863446-98-4) is a chemical compound with molecular formula C13H8FN5O and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetonitrile
Also Known As: 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile, 2-[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile, 2-[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile, F0679-0448, 2-[9-(4-fluorophenyl)-5-oxo-2,4,8,9-tetrazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetonitrile
| Molecular Formula | C13H8FN5O |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 1.24488 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0713 |
| Heavy Atoms | 20 |
| Complexity | 872.3983 |
Chemical Identifiers
| CAS Number | 863446-98-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC#N)F |
Product Overview
2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile (CAS 863446-98-4), with molecular formula C13H8FN5O and molecular weight 269.07 g/mol. IUPAC: 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetonitrile.
Chemical Property Profile of 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile
Property Insights of 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile
The XLogP value of 1.24488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile has 0 hydrogen bond donor(s) and 4 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 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile?
The CAS number of 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile is 863446-98-4.
What is the molecular formula of 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile?
The molecular formula of 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile is C13H8FN5O.
What is the molecular weight of 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile?
The molecular weight of 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile is 269.07 g/mol.
Where can I buy 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile?
You can request a quote for 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.