2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile
TL;DR: 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile (CAS 40380-36-7) is a chemical compound with molecular formula C7H7N3O and molecular weight 149.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile
Also Known As: 5,6-dimethyl-3-oxo-2,3-dihydropyridazine-4-carbonitrile, 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile, 3-hydroxy-5,6-dimethylpyridazine-4-carbonitrile, 4-Pyridazinecarbonitrile, 2,3-dihydro-5,6-dimethyl-3-oxo-, 5,6-dimethyl-3-oxo-2H-pyridazine-4-carbonitrile
| Molecular Formula | C7H7N3O |
|---|---|
| Molecular Weight | 149.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.05891 |
| Heavy Atoms | 11 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 40380-36-7 |
|---|---|
| SMILES | CC1=C(C(=O)NN=C1C)C#N |
| InChIKey | WNSUWBPFLAQCMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile (CAS 40380-36-7), with molecular formula C7H7N3O and molecular weight 149.06 g/mol. IUPAC: 3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile.
Chemical Property Profile of 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile
Property Insights of 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile
The XLogP value of -0.1 indicates that 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile. Following Lipinski's Rule of Five, 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile 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 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile?
The CAS number of 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile is 40380-36-7.
What is the molecular formula of 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile?
The molecular formula of 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile is C7H7N3O.
What is the molecular weight of 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile?
The molecular weight of 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile is 149.06 g/mol.
Where can I buy 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile?
You can request a quote for 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.