![2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile structure](/static/products/6047/604754-49-6.webp)
2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile
TL;DR: 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile (CAS 604754-49-6) is a chemical compound with molecular formula C13H9N5O and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetonitrile
Also Known As: ChemDiv3_010980, BAS 06481324, IDI1_028538, 2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile, AO-476/43380576
| Molecular Formula | C13H9N5O |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0807 |
| Heavy Atoms | 19 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 604754-49-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC#N |
| InChIKey | XERSRZBBPCHBNF-UHFFFAOYSA-N |
Product Overview
2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile (CAS 604754-49-6), with molecular formula C13H9N5O and molecular weight 251.08 g/mol. IUPAC: 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetonitrile.
Chemical Property Profile of 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile
Property Insights of 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-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-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile?
The CAS number of 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile is 604754-49-6.
What is the molecular formula of 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile?
The molecular formula of 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile is C13H9N5O.
What is the molecular weight of 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile?
The molecular weight of 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile is 251.08 g/mol.
Where can I buy 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile?
You can request a quote for 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-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-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.