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Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate
TL;DR: Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate (CAS 338976-05-9) is a chemical compound with molecular formula C22H13F3N2O3 and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate
Also Known As: 9C-075, Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate, phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1-phthalazinecarboxylate, phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrophthalazine-1-carboxylate, phenyl4-oxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrophthalazine-1-carboxylate
| Molecular Formula | C22H13F3N2O3 |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 4.6237 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.08783 |
| Heavy Atoms | 30 |
| Complexity | 1298.5133 |
Chemical Identifiers
| CAS Number | 338976-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate (CAS 338976-05-9), with molecular formula C22H13F3N2O3 and molecular weight 410.09 g/mol. IUPAC: phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate.
Chemical Property Profile of Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate
Property Insights of Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate
The XLogP value of 4.6237 indicates that Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate. Following Lipinski's Rule of Five, Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate has 0 hydrogen bond donor(s) and 4 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 Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate?
The CAS number of Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate is 338976-05-9.
What is the molecular formula of Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate?
The molecular formula of Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate is C22H13F3N2O3.
What is the molecular weight of Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate?
The molecular weight of Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate is 410.09 g/mol.
Where can I buy Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate?
You can request a quote for Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]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 Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-oxo-3-[3-(trifluoromethyl)phenyl]phthalazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.