4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile
TL;DR: 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile (CAS 97004-52-9) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-oxo-1-phenylpyridazine-3-carbonitrile
Also Known As: 4-methoxy-6-oxo-1-phenylpyridazine-3-carbonitrile, 4-methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile, 1,6-Dihydro-4-methoxy-6-oxo-1-phenyl-3-pyridazincarbonitril, 4-Methoxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carbonitrile
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 97004-52-9 |
|---|---|
| SMILES | COC1=CC(=O)N(N=C1C#N)C2=CC=CC=C2 |
| InChIKey | DPKOYEAKFPZONC-UHFFFAOYSA-N |
Product Overview
4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile (CAS 97004-52-9), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: 4-methoxy-6-oxo-1-phenylpyridazine-3-carbonitrile.
Chemical Property Profile of 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile
Property Insights of 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile. Following Lipinski's Rule of Five, 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile 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 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile?
The CAS number of 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile is 97004-52-9.
What is the molecular formula of 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile?
The molecular formula of 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile is C12H9N3O2.
What is the molecular weight of 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile?
The molecular weight of 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile is 227.07 g/mol.
Where can I buy 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile?
You can request a quote for 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-6-oxo-1-phenyl-pyridazine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.