4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one
TL;DR: 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one (CAS 52422-20-5) is a chemical compound with molecular formula C8H2Cl4O3 and molecular weight 285.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one
Also Known As: 4,5,6,7-Tetrachlor-3-hydroxyphthalid, 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one, 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one, 4,5,6,7-Tetrachloro-3-hydroxy-2-benzofuran-1(3H)-one #
| Molecular Formula | C8H2Cl4O3 |
|---|---|
| Molecular Weight | 285.88 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 285.8758 |
| Heavy Atoms | 15 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 52422-20-5 |
|---|---|
| SMILES | C1(C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O1)O |
| InChIKey | NBRIPYIDTFTKHP-UHFFFAOYSA-N |
Product Overview
4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one (CAS 52422-20-5), with molecular formula C8H2Cl4O3 and molecular weight 285.88 g/mol. IUPAC: 4,5,6,7-tetrachloro-3-hydroxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one
Property Insights of 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one
The XLogP value of 3.3 indicates that 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one has 1 hydrogen bond donor(s) and 3 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 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one?
The CAS number of 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one is 52422-20-5.
What is the molecular formula of 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one?
The molecular formula of 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one is C8H2Cl4O3.
What is the molecular weight of 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one?
The molecular weight of 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one is 285.88 g/mol.
Where can I buy 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one?
You can request a quote for 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrachloro-3-hydroxy-3H-isobenzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.