1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-
TL;DR: 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- (CAS 99199-05-0) is a chemical compound with molecular formula C15H8ClF3O3 and molecular weight 328.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-chloro-4-(trifluoromethyl)phenoxy]-3H-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-, Benzoic acid,4-[(trimethylsilyl)methyl]-,methyl ester, 5-(2-Chloro-4-(trifluoromethyl)phenoxy)isobenzofuran-1(3H)-one, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3H-isobenzofuran-1-one, 1(3H)-Isobenzofuranone, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-
| Molecular Formula | C15H8ClF3O3 |
|---|---|
| Molecular Weight | 328.01 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.0114 |
| Heavy Atoms | 22 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 99199-05-0 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)C(=O)O1 |
| InChIKey | GUVVEYJOVRMQDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- (CAS 99199-05-0), with molecular formula C15H8ClF3O3 and molecular weight 328.01 g/mol. IUPAC: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-
Property Insights of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-
The XLogP value of 4.4 indicates that 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- has 0 hydrogen bond donor(s) and 6 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 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-?
The CAS number of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- is 99199-05-0.
What is the molecular formula of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-?
The molecular formula of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- is C15H8ClF3O3.
What is the molecular weight of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-?
The molecular weight of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- is 328.01 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-?
You can request a quote for 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.