![4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone structure](/static/products/4780/478048-29-2.webp)
4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone
TL;DR: 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone (CAS 478048-29-2) is a chemical compound with molecular formula C16H11F3N2O2 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one
Also Known As: 5F-425S, 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone, 4-methyl-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one, 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,2-dihydrophthalazin-1-one
| Molecular Formula | C16H11F3N2O2 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 3.59272 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.07727 |
| Heavy Atoms | 23 |
| Complexity | 915.24207 |
Chemical Identifiers
| CAS Number | 478048-29-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)OC(F)(F)F |
Product Overview
4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone (CAS 478048-29-2), with molecular formula C16H11F3N2O2 and molecular weight 320.08 g/mol. IUPAC: 4-methyl-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one.
Chemical Property Profile of 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone
Property Insights of 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone
The XLogP value of 3.59272 indicates that 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone has 0 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 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone?
The CAS number of 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone is 478048-29-2.
What is the molecular formula of 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone?
The molecular formula of 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone is C16H11F3N2O2.
What is the molecular weight of 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone?
The molecular weight of 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone is 320.08 g/mol.
Where can I buy 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone?
You can request a quote for 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-2-[4-(trifluoromethoxy)phenyl]-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.