3-(Z)-Trifluoroacetonylidenephtalide
TL;DR: 3-(Z)-Trifluoroacetonylidenephtalide (CAS 420109-43-9) is a chemical compound with molecular formula C11H5F3O3 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3,3-trifluoro-2-oxopropylidene)-2-benzofuran-1-one
Also Known As: 3-(Z)-Trifluoroacetonylidenephtalide, 3-(3,3,3-trifluoro-2-oxo-propylidene)isobenzofuran-1-one, 3-(3,3,3-trifluoro-2-oxopropylidene)-2-benzofuran-1-one, (Z)-3-(3,3,3-trifluoro-2-oxopropylidene)isobenzofuran-1(3H)-one
| Molecular Formula | C11H5F3O3 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 2.3293 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.01907 |
| Heavy Atoms | 17 |
| Complexity | 529.00836 |
Chemical Identifiers
| CAS Number | 420109-43-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)C(F)(F)F)OC2=O |
Product Overview
3-(Z)-Trifluoroacetonylidenephtalide (CAS 420109-43-9), with molecular formula C11H5F3O3 and molecular weight 242.02 g/mol. IUPAC: 3-(3,3,3-trifluoro-2-oxopropylidene)-2-benzofuran-1-one.
Chemical Property Profile of 3-(Z)-Trifluoroacetonylidenephtalide
Property Insights of 3-(Z)-Trifluoroacetonylidenephtalide
The XLogP value of 2.3293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Z)-Trifluoroacetonylidenephtalide. With a topological polar surface area (TPSA) of 43.37 Ų, 3-(Z)-Trifluoroacetonylidenephtalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Z)-Trifluoroacetonylidenephtalide 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 3-(Z)-Trifluoroacetonylidenephtalide?
The CAS number of 3-(Z)-Trifluoroacetonylidenephtalide is 420109-43-9.
What is the molecular formula of 3-(Z)-Trifluoroacetonylidenephtalide?
The molecular formula of 3-(Z)-Trifluoroacetonylidenephtalide is C11H5F3O3.
What is the molecular weight of 3-(Z)-Trifluoroacetonylidenephtalide?
The molecular weight of 3-(Z)-Trifluoroacetonylidenephtalide is 242.02 g/mol.
Where can I buy 3-(Z)-Trifluoroacetonylidenephtalide?
You can request a quote for 3-(Z)-Trifluoroacetonylidenephtalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Z)-Trifluoroacetonylidenephtalide?
Yes, KEHONG BIO provides custom synthesis services for 3-(Z)-Trifluoroacetonylidenephtalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.