Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate
TL;DR: Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate (CAS 338752-93-5) is a chemical compound with molecular formula C19H16N2O2S and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-phenyl-3-phenylsulfanylpyridazine-4-carboxylate
Also Known As: ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate, ethyl 6-phenyl-3-(phenylsulfanyl)pyridazine-4-carboxylate, ethyl 6-phenyl-3-phenylsulfanylpyridazine-4-carboxylate, 5D-117, ethyl 6-phenyl-3-phenylsulfanyl-pyridazine-4-carboxylate
| Molecular Formula | C19H16N2O2S |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 4.4715 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.09326 |
| Heavy Atoms | 24 |
| Complexity | 823.28516 |
Chemical Identifiers
| CAS Number | 338752-93-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN=C1SC2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate (CAS 338752-93-5), with molecular formula C19H16N2O2S and molecular weight 336.09 g/mol. IUPAC: ethyl 6-phenyl-3-phenylsulfanylpyridazine-4-carboxylate.
Chemical Property Profile of Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate
Property Insights of Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate
The XLogP value of 4.4715 indicates that Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-phenyl-3-(phenylsulfanyl)-4-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 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate?
The CAS number of Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate is 338752-93-5.
What is the molecular formula of Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate?
The molecular formula of Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate is C19H16N2O2S.
What is the molecular weight of Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate?
The molecular weight of Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate is 336.09 g/mol.
Where can I buy Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate?
You can request a quote for Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-phenyl-3-(phenylsulfanyl)-4-pyridazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.