3,4,5,6-Tetrabromo-o-benzoquinone
TL;DR: 3,4,5,6-Tetrabromo-o-benzoquinone (CAS 2435-54-3) is a chemical compound with molecular formula C6Br4O2 and molecular weight 419.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6-tetrabromocyclohexa-3,5-diene-1,2-dione
Also Known As: o-Bromanil, Tetrabromo-o-benzoquinone, Isobromanil, Bromanil, Tetrabromo-1,2-benzoquinone
| Molecular Formula | C6Br4O2 |
|---|---|
| Molecular Weight | 419.66 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 423.6591 |
| Heavy Atoms | 12 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 2435-54-3 |
|---|---|
| SMILES | C1(=C(C(=O)C(=O)C(=C1Br)Br)Br)Br |
| InChIKey | DXKHBLYQXDEINJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5,6-Tetrabromo-o-benzoquinone (CAS 2435-54-3), with molecular formula C6Br4O2 and molecular weight 419.66 g/mol. IUPAC: 3,4,5,6-tetrabromocyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 3,4,5,6-Tetrabromo-o-benzoquinone
Property Insights of 3,4,5,6-Tetrabromo-o-benzoquinone
The XLogP value of 3.0 indicates that 3,4,5,6-Tetrabromo-o-benzoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 3,4,5,6-Tetrabromo-o-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6-Tetrabromo-o-benzoquinone has 0 hydrogen bond donor(s) and 2 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 3,4,5,6-Tetrabromo-o-benzoquinone?
The CAS number of 3,4,5,6-Tetrabromo-o-benzoquinone is 2435-54-3.
What is the molecular formula of 3,4,5,6-Tetrabromo-o-benzoquinone?
The molecular formula of 3,4,5,6-Tetrabromo-o-benzoquinone is C6Br4O2.
What is the molecular weight of 3,4,5,6-Tetrabromo-o-benzoquinone?
The molecular weight of 3,4,5,6-Tetrabromo-o-benzoquinone is 419.66 g/mol.
Where can I buy 3,4,5,6-Tetrabromo-o-benzoquinone?
You can request a quote for 3,4,5,6-Tetrabromo-o-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-Tetrabromo-o-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetrabromo-o-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.