1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-
TL;DR: 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy- (CAS 99199-20-9) is a chemical compound with molecular formula C18H14ClF3O4 and molecular weight 386.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-propoxy-3H-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-, 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-3-propoxyisobenzofuran-1(3H)-one, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-propoxy-2-benzofuran-1(3H)-one, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-propoxy-3H-2-benzofuran-1-one, 1(3H)-Isobenzofuranone,5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy
| Molecular Formula | C18H14ClF3O4 |
|---|---|
| Molecular Weight | 386.05 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.05328 |
| Heavy Atoms | 26 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 99199-20-9 |
|---|---|
| SMILES | CCCOC1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)C(=O)O1 |
| InChIKey | FYBXUTAACSVBGA-UHFFFAOYSA-N |
Product Overview
1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy- (CAS 99199-20-9), with molecular formula C18H14ClF3O4 and molecular weight 386.05 g/mol. IUPAC: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-propoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-
Property Insights of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-
The XLogP value of 5.3 indicates that 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy- 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)-3-propoxy- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-?
The CAS number of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy- is 99199-20-9.
What is the molecular formula of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-?
The molecular formula of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy- is C18H14ClF3O4.
What is the molecular weight of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-?
The molecular weight of 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy- is 386.05 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy-?
You can request a quote for 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy- 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)-3-propoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-3-propoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.