Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate
TL;DR: Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate (CAS 339031-45-7) is a chemical compound with molecular formula C17H20N2O3S and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-butylsulfanyl-6-oxo-1-phenylpyridazine-3-carboxylate
Also Known As: ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate, ethyl 4-butylsulfanyl-6-oxo-1-phenylpyridazine-3-carboxylate, ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate, ethyl4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate
| Molecular Formula | C17H20N2O3S |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 3.3014 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.11948 |
| Heavy Atoms | 23 |
| Complexity | 713.52356 |
Chemical Identifiers
| CAS Number | 339031-45-7 |
|---|---|
| SMILES | CCCCSC1=CC(=O)N(N=C1C(=O)OCC)C2=CC=CC=C2 |
Product Overview
Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate (CAS 339031-45-7), with molecular formula C17H20N2O3S and molecular weight 332.12 g/mol. IUPAC: ethyl 4-butylsulfanyl-6-oxo-1-phenylpyridazine-3-carboxylate.
Chemical Property Profile of Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate
Property Insights of Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate
The XLogP value of 3.3014 indicates that Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate has 0 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 Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
The CAS number of Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate is 339031-45-7.
What is the molecular formula of Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
The molecular formula of Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate is C17H20N2O3S.
What is the molecular weight of Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
The molecular weight of Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate is 332.12 g/mol.
Where can I buy Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
You can request a quote for Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(butylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.