![[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate structure](/static/products/385/385398-65-2.png)
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate
TL;DR: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate (CAS 385398-65-2) is a chemical compound with molecular formula C18H12F3N3O4 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate
Also Known As: 2-Oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl 3,4-dihydro-4-oxo-1-phthalazinecarboxylate, [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate, 2-Oxo-2-[3-(trifluoromethyl)anilino]ethyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate
| Molecular Formula | C18H12F3N3O4 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 2.7374 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.078 |
| Heavy Atoms | 28 |
| Complexity | 1108.9164 |
Chemical Identifiers
| CAS Number | 385398-65-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate (CAS 385398-65-2), with molecular formula C18H12F3N3O4 and molecular weight 391.08 g/mol. IUPAC: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate.
Chemical Property Profile of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate
Property Insights of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate
The XLogP value of 2.7374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate. Following Lipinski's Rule of Five, [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate has 2 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 [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate?
The CAS number of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate is 385398-65-2.
What is the molecular formula of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate?
The molecular formula of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate is C18H12F3N3O4.
What is the molecular weight of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate?
The molecular weight of [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate is 391.08 g/mol.
Where can I buy [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate?
You can request a quote for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.