12M-581S
TL;DR: 12M-581S (CAS 477859-68-0) is a chemical compound with molecular formula C19H9F8N3O2 and molecular weight 463.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-difluorophenyl)-6-oxo-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
Also Known As: 12M-581S, 1-(2,4-difluorophenyl)-6-oxo-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarboxamide, 1-(2,4-difluorophenyl)-6-oxo-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide, 1-(2,4-difluorophenyl)-6-oxo-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxamide
| Molecular Formula | C19H9F8N3O2 |
|---|---|
| Molecular Weight | 463.06 g/mol |
| LogP | 4.8006 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.0567 |
| Heavy Atoms | 32 |
| Complexity | 1231.2909 |
Chemical Identifiers
| CAS Number | 477859-68-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=NN(C(=O)C=C2C(F)(F)F)C3=C(C=C(C=C3)F)F |
Product Overview
12M-581S (CAS 477859-68-0), with molecular formula C19H9F8N3O2 and molecular weight 463.06 g/mol. IUPAC: 1-(2,4-difluorophenyl)-6-oxo-4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
Chemical Property Profile of 12M-581S
Property Insights of 12M-581S
The XLogP value of 4.8006 indicates that 12M-581S 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-581S. Following Lipinski's Rule of Five, 12M-581S 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-581S?
The CAS number of 12M-581S is 477859-68-0.
What is the molecular formula of 12M-581S?
The molecular formula of 12M-581S is C19H9F8N3O2.
What is the molecular weight of 12M-581S?
The molecular weight of 12M-581S is 463.06 g/mol.
Where can I buy 12M-581S?
You can request a quote for 12M-581S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12M-581S?
Yes, KEHONG BIO provides custom synthesis services for 12M-581S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.