![[2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate structure](/static/products/2104/210411-41-9.webp)
[2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate
TL;DR: [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate (CAS 210411-41-9) is a chemical compound with molecular formula C24H19F3N2O5S and molecular weight 504.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate
Also Known As: [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate|2,6-dimethyl-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl 2-(trifluoromethoxy)benzene-1-sulfonate|4-[3,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonyloxy-phenyl]-2-methyl-phthalazin-1-one
| Molecular Formula | C24H19F3N2O5S |
|---|---|
| Molecular Weight | 504.10 g/mol |
| LogP | 4.88364 |
| Topological Polar Surface Area | 87.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.09668 |
| Heavy Atoms | 35 |
| Complexity | 1589.0322 |
Chemical Identifiers
| CAS Number | 210411-41-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1OS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C)C3=NN(C(=O)C4=CC=CC=C43)C |
Product Overview
[2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate (CAS 210411-41-9), with molecular formula C24H19F3N2O5S and molecular weight 504.10 g/mol. IUPAC: [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate.
Chemical Property Profile of [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate
Property Insights of [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate
The XLogP value of 4.88364 indicates that [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.49 Ų falls within the moderate polarity range, balancing permeability and solubility for [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate. Following Lipinski's Rule of Five, [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate?
The CAS number of [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate is 210411-41-9.
What is the molecular formula of [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate?
The molecular formula of [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate is C24H19F3N2O5S.
What is the molecular weight of [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate?
The molecular weight of [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate is 504.10 g/mol.
Where can I buy [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate?
You can request a quote for [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [2,6-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)phenyl] 2-(trifluoromethoxy)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.