Bionet1_000469
TL;DR: Bionet1_000469 (CAS 338396-01-3) is a chemical compound with molecular formula C15H9F3N2O4S and molecular weight 370.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-hydroxy-3-oxo-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridazine-6-carboxylate
Also Known As: Bionet1_000469, 2F-069, methyl 7-hydroxy-3-oxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydrothieno[3,2-c]pyridazine-6-carboxylate, methyl 7-hydroxy-3-oxo-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridazine-6-carboxylate, methyl 7-hydroxy-3-oxo-2-[3-(trifluoromethyl)phenyl]-2H,3H-thieno[3,2-c]pyridazine-6-carboxylate
| Molecular Formula | C15H9F3N2O4S |
|---|---|
| Molecular Weight | 370.02 g/mol |
| LogP | 2.9582 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.0235 |
| Heavy Atoms | 25 |
| Complexity | 1039.413 |
Chemical Identifiers
| CAS Number | 338396-01-3 |
|---|---|
| SMILES | COC(=O)C1=C(C2=NN(C(=O)C=C2S1)C3=CC=CC(=C3)C(F)(F)F)O |
Product Overview
Bionet1_000469 (CAS 338396-01-3), with molecular formula C15H9F3N2O4S and molecular weight 370.02 g/mol. IUPAC: methyl 7-hydroxy-3-oxo-2-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridazine-6-carboxylate.
Chemical Property Profile of Bionet1_000469
Property Insights of Bionet1_000469
The XLogP value of 2.9582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000469. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000469. Following Lipinski's Rule of Five, Bionet1_000469 has 1 hydrogen bond donor(s) and 6 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 Bionet1_000469?
The CAS number of Bionet1_000469 is 338396-01-3.
What is the molecular formula of Bionet1_000469?
The molecular formula of Bionet1_000469 is C15H9F3N2O4S.
What is the molecular weight of Bionet1_000469?
The molecular weight of Bionet1_000469 is 370.02 g/mol.
Where can I buy Bionet1_000469?
You can request a quote for Bionet1_000469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000469?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.