12M-538S
TL;DR: 12M-538S (CAS 477859-59-9) is a chemical compound with molecular formula C19H11F6N3O2 and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxo-1-phenyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
Also Known As: 12M-538S, 6-oxo-1-phenyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide, 6-oxo-1-phenyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarboxamide, 6-oxo-1-phenyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxamide
| Molecular Formula | C19H11F6N3O2 |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 4.5224 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.07553 |
| Heavy Atoms | 30 |
| Complexity | 1120.2372 |
Chemical Identifiers
| CAS Number | 477859-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C=C(C(=N2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(F)(F)F |
Product Overview
12M-538S (CAS 477859-59-9), with molecular formula C19H11F6N3O2 and molecular weight 427.08 g/mol. IUPAC: 6-oxo-1-phenyl-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
Chemical Property Profile of 12M-538S
Property Insights of 12M-538S
The XLogP value of 4.5224 indicates that 12M-538S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 12M-538S. Following Lipinski's Rule of Five, 12M-538S has 1 hydrogen bond donor(s) and 3 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 12M-538S?
The CAS number of 12M-538S is 477859-59-9.
What is the molecular formula of 12M-538S?
The molecular formula of 12M-538S is C19H11F6N3O2.
What is the molecular weight of 12M-538S?
The molecular weight of 12M-538S is 427.08 g/mol.
Where can I buy 12M-538S?
You can request a quote for 12M-538S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12M-538S?
Yes, KEHONG BIO provides custom synthesis services for 12M-538S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.