Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate
TL;DR: Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate (CAS 339031-36-6) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-oxo-1-phenyl-4-propan-2-ylsulfanylpyridazine-3-carboxylate
Also Known As: ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate, ethyl 6-oxo-1-phenyl-4-propan-2-ylsulfanylpyridazine-3-carboxylate, ethyl 6-oxo-1-phenyl-4-(propan-2-ylsulfanyl)-1,6-dihydropyridazine-3-carboxylate, ethyl6-oxo-1-phenyl-4-(propan-2-ylsulfanyl)-1,6-dihydropyridazine-3-carboxylate
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.9097 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 711.076 |
Chemical Identifiers
| CAS Number | 339031-36-6 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C=C1SC(C)C)C2=CC=CC=C2 |
Product Overview
Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate (CAS 339031-36-6), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: ethyl 6-oxo-1-phenyl-4-propan-2-ylsulfanylpyridazine-3-carboxylate.
Chemical Property Profile of Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate
Property Insights of Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate
The XLogP value of 2.9097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(isopropylsulfanyl)-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-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
The CAS number of Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate is 339031-36-6.
What is the molecular formula of Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
The molecular formula of Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate is C16H18N2O3S.
What is the molecular weight of Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
The molecular weight of Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate is 318.10 g/mol.
Where can I buy Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
You can request a quote for Ethyl 4-(isopropylsulfanyl)-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-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(isopropylsulfanyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.