5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione
TL;DR: 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione (CAS 74861-12-4) is a chemical compound with molecular formula C15H6ClF3O4 and molecular weight 341.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione
Also Known As: 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione, 5-(2-chloro-4-trifluoromethylphenoxy)phthalic anhydride, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-dihydro-2-benzofuran-1,3-dione, 5-[2-chloro-4-(trifluoromethyl)phenoxy]isobenzofuran-1,3-dione
| Molecular Formula | C15H6ClF3O4 |
|---|---|
| Molecular Weight | 341.99 g/mol |
| LogP | 4.4617 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.99066 |
| Heavy Atoms | 23 |
| Complexity | 829.9571 |
Chemical Identifiers
| CAS Number | 74861-12-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC3=C(C=C2)C(=O)OC3=O |
Product Overview
5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione (CAS 74861-12-4), with molecular formula C15H6ClF3O4 and molecular weight 341.99 g/mol. IUPAC: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-benzofuran-1,3-dione.
Chemical Property Profile of 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione
Property Insights of 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione
The XLogP value of 4.4617 indicates that 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione 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 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione?
The CAS number of 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione is 74861-12-4.
What is the molecular formula of 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione?
The molecular formula of 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione is C15H6ClF3O4.
What is the molecular weight of 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione?
The molecular weight of 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione is 341.99 g/mol.
Where can I buy 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione?
You can request a quote for 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.