Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate
TL;DR: Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate (CAS 886950-74-9) is a chemical compound with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate
Also Known As: F2698-0019, ethyl 4-[(4-methylbenzenesulfonyl)oxy]-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate, ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate, ethyl 6-oxo-1-phenyl-4-(tosyloxy)-1,6-dihydropyridazine-3-carboxylate
| Molecular Formula | C20H18N2O6S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 2.48532 |
| Topological Polar Surface Area | 104.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.08856 |
| Heavy Atoms | 29 |
| Complexity | 1185.8911 |
Chemical Identifiers
| CAS Number | 886950-74-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3 |
Product Overview
Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate (CAS 886950-74-9), with molecular formula C20H18N2O6S and molecular weight 414.09 g/mol. IUPAC: ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate
Property Insights of Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate
The XLogP value of 2.48532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate. The TPSA of 104.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate?
The CAS number of Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate is 886950-74-9.
What is the molecular formula of Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate?
The molecular formula of Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate is C20H18N2O6S.
What is the molecular weight of Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate?
The molecular weight of Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate is 414.09 g/mol.
Where can I buy Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate?
You can request a quote for Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-methylphenyl)sulfonyloxy-6-oxo-1-phenylpyridazine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.