![2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile structure](/static/products/715/7152-33-2.png)
2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile
TL;DR: 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile (CAS 7152-33-2) is a chemical compound with molecular formula C17H18N6 and molecular weight 306.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-butyl-4-imino-1-phenylpyrazolo[5,4-d]pyrimidin-3-yl)acetonitrile
Also Known As: NCIStruc1_000975, NCIStruc2_001030, NCI60_002112, [(4z)-5-butyl-4-imino-1-phenyl-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile, 2-(5-Butyl-4-imino-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile
| Molecular Formula | C17H18N6 |
|---|---|
| Molecular Weight | 306.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.1593 |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 7152-33-2 |
|---|---|
| SMILES | CCCCN1C=NC2=C(C1=N)C(=NN2C3=CC=CC=C3)CC#N |
| InChIKey | STZJKQMYVJOMDY-UHFFFAOYSA-N |
Product Overview
2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile (CAS 7152-33-2), with molecular formula C17H18N6 and molecular weight 306.16 g/mol. IUPAC: 2-(5-butyl-4-imino-1-phenylpyrazolo[5,4-d]pyrimidin-3-yl)acetonitrile.
Chemical Property Profile of 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile
Property Insights of 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile has 1 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-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile?
The CAS number of 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile is 7152-33-2.
What is the molecular formula of 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile?
The molecular formula of 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile is C17H18N6.
What is the molecular weight of 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile?
The molecular weight of 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile is 306.16 g/mol.
Where can I buy 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile?
You can request a quote for 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-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-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.