2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
TL;DR: 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CAS 122855-00-9) is a chemical compound with molecular formula C15H11ClF3NO3 and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
Also Known As: 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione, 2-[4-chloro-5-(difluoromethoxy)-2-fluoro-phenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione, 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione, 2-[4-Chloro-5-(difluoromethoxy)-2-fluorophenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H11ClF3NO3 |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.03796 |
| Heavy Atoms | 23 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 122855-00-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)OC(F)F |
| InChIKey | LXLVYSKJOZPXPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CAS 122855-00-9), with molecular formula C15H11ClF3NO3 and molecular weight 345.04 g/mol. IUPAC: 2-[4-chloro-5-(difluoromethoxy)-2-fluorophenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Property Insights of 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
The XLogP value of 4.1 indicates that 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione 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 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The CAS number of 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is 122855-00-9.
What is the molecular formula of 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The molecular formula of 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is C15H11ClF3NO3.
What is the molecular weight of 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The molecular weight of 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione is 345.04 g/mol.
Where can I buy 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
You can request a quote for 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-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 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-5-(difluoromethoxy)-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.