4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one
TL;DR: 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one (CAS 711-62-6) is a chemical compound with molecular formula C7Cl4O3 and molecular weight 271.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrachloro-1,3-benzodioxol-2-one
Also Known As: 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one, tetrachloro-2H-1,3-benzodioxol-2-one, 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one #, 4,5,6,7-Tetrachloro-2H-1,3-benzodioxol-2-one, Carbonic acid, cyclic 3,4,5,6-tetrachloro-o-phenylene ester
| Molecular Formula | C7Cl4O3 |
|---|---|
| Molecular Weight | 271.86 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.86017 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 711-62-6 |
|---|---|
| SMILES | C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC(=O)O2 |
| InChIKey | PFAIWLKEOKSYGN-UHFFFAOYSA-N |
Product Overview
4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one (CAS 711-62-6), with molecular formula C7Cl4O3 and molecular weight 271.86 g/mol. IUPAC: 4,5,6,7-tetrachloro-1,3-benzodioxol-2-one.
Chemical Property Profile of 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one
Property Insights of 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one
The XLogP value of 4.2 indicates that 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one has 0 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-1,3-benzodioxol-2-one?
The CAS number of 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one is 711-62-6.
What is the molecular formula of 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one?
The molecular formula of 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one is C7Cl4O3.
What is the molecular weight of 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one?
The molecular weight of 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one is 271.86 g/mol.
Where can I buy 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one?
You can request a quote for 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-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-1,3-benzodioxol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrachloro-1,3-benzodioxol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.