![3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile structure](/static/products/887/887225-16-3.png)
3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
TL;DR: 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile (CAS 887225-16-3) is a chemical compound with molecular formula C18H10Cl2N6 and molecular weight 380.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile
Also Known As: AB00677561-01, F1886-0657, 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile, 3-[[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile, 3-((1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)benzonitrile
| Molecular Formula | C18H10Cl2N6 |
|---|---|
| Molecular Weight | 380.03 g/mol |
| LogP | 4.73758 |
| Topological Polar Surface Area | 79.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.0344 |
| Heavy Atoms | 26 |
| Complexity | 1162.0204 |
Chemical Identifiers
| CAS Number | 887225-16-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C3C=NN(C3=NC=N2)C4=CC(=C(C=C4)Cl)Cl)C#N |
Product Overview
3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile (CAS 887225-16-3), with molecular formula C18H10Cl2N6 and molecular weight 380.03 g/mol. IUPAC: 3-[[1-(3,4-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile.
Chemical Property Profile of 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
Property Insights of 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
The XLogP value of 4.73758 indicates that 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile. Following Lipinski's Rule of Five, 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile has 1 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 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile?
The CAS number of 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile is 887225-16-3.
What is the molecular formula of 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile?
The molecular formula of 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile is C18H10Cl2N6.
What is the molecular weight of 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile?
The molecular weight of 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile is 380.03 g/mol.
Where can I buy 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile?
You can request a quote for 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[1-(3,4-dichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.