3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
TL;DR: 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one (CAS 122855-04-3) is a chemical compound with molecular formula C21H17ClFNO3 and molecular weight 385.0881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
Also Known As: 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one, 3-(4-chloro-2-fluoro-5-phenylmethoxy-phenyl)imino-4,5,6,7-tetrahydroisobenzofuran-1-one, 3-(4-chloro-2-fluoro-5-phenylmethoxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
Technical Specifications
| Molecular Formula | C21H17ClFNO3 |
| Molecular Weight | 385.0881 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.0881 Da |
| Heavy Atoms | 27 |
| Complexity | 629.0 |
| SMILES | C1CCC2=C(C1)C(=NC3=CC(=C(C=C3F)Cl)OCC4=CC=CC=C4)OC2=O |
| InChIKey | NEXIOMNJLXOADD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
Property Insights of 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
The XLogP value of 5.3 indicates that 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The CAS number of 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one is 122855-04-3.
What is the molecular formula of 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The molecular formula of 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one is C21H17ClFNO3.
What is the molecular weight of 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The molecular weight of 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one is 385.0881 g/mol.
Where can I buy 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
You can request a quote for 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(4-Chloro-2-fluoro-5-(phenylmethoxy)phenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.