3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
TL;DR: 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one (CAS 122855-03-2) is a chemical compound with molecular formula C14H11ClFNO3 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
Also Known As: 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one, 3-(4-chloro-2-fluoro-5-hydroxy-phenyl)imino-4,5,6,7-tetrahydroisobenzofuran-1-one
| Molecular Formula | C14H11ClFNO3 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.04114 |
| Heavy Atoms | 20 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 122855-03-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=NC3=CC(=C(C=C3F)Cl)O)OC2=O |
| InChIKey | HJHRMSBMHCUHFR-UHFFFAOYSA-N |
Product Overview
3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one (CAS 122855-03-2), with molecular formula C14H11ClFNO3 and molecular weight 295.04 g/mol. IUPAC: 3-(4-chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one.
Chemical Property Profile of 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
Property Insights of 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one
The XLogP value of 3.5 indicates that 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)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 58.9 Ų, 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)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-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one has 1 hydrogen bond donor(s) and 5 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 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The CAS number of 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one is 122855-03-2.
What is the molecular formula of 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The molecular formula of 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one is C14H11ClFNO3.
What is the molecular weight of 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
The molecular weight of 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one is 295.04 g/mol.
Where can I buy 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
You can request a quote for 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-2-fluoro-5-hydroxyphenyl)imino-4,5,6,7-tetrahydro-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.