4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-
TL;DR: 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl- (CAS 79225-55-1) is a chemical compound with molecular formula C17H11N3O and molecular weight 273.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonitrile
Also Known As: 3-oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carbonitrile, 6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonitrile, 3,4-diphenyl-5-cyanopyridazin-6-one, 4-Cyano-5,6-diphenyl-3-(2H)-pyridazinone, 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-
| Molecular Formula | C17H11N3O |
|---|---|
| Molecular Weight | 273.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0902 |
| Heavy Atoms | 21 |
| Complexity | 525.0 |
| Solubility | 17.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 79225-55-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)C#N |
| InChIKey | PPWYWNPYONMTBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl- (CAS 79225-55-1), with molecular formula C17H11N3O and molecular weight 273.09 g/mol. IUPAC: 6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonitrile.
Chemical Property Profile of 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-
Property Insights of 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-. Following Lipinski's Rule of Five, 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl- has 1 hydrogen bond donor(s) and 3 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 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-?
The CAS number of 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl- is 79225-55-1.
What is the molecular formula of 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-?
The molecular formula of 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl- is C17H11N3O.
What is the molecular weight of 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-?
The molecular weight of 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl- is 273.09 g/mol.
Where can I buy 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-?
You can request a quote for 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridazinecarbonitrile, 2,3-dihydro-3-oxo-5,6-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.