![2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile structure](/static/products/897/897623-23-3.png)
2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile
TL;DR: 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile (CAS 897623-23-3) is a chemical compound with molecular formula C15H13N5O and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetonitrile
Also Known As: AB00678811-01, F2514-0393, 2-[1-(2,3-dimethylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile, 2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile, 2-(1-(2,3-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetonitrile
| Molecular Formula | C15H13N5O |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 1.72262 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.112 |
| Heavy Atoms | 21 |
| Complexity | 929.3675 |
Chemical Identifiers
| CAS Number | 897623-23-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC#N)C |
Product Overview
2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile (CAS 897623-23-3), with molecular formula C15H13N5O and molecular weight 279.11 g/mol. IUPAC: 2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetonitrile.
Chemical Property Profile of 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile
Property Insights of 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile
The XLogP value of 1.72262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[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-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile?
The CAS number of 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile is 897623-23-3.
What is the molecular formula of 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile?
The molecular formula of 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile is C15H13N5O.
What is the molecular weight of 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile?
The molecular weight of 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile is 279.11 g/mol.
Where can I buy 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile?
You can request a quote for 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[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-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(2,3-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.