2,4,4,6-Tetrabromocyclohexa-2,5-dienone
TL;DR: 2,4,4,6-Tetrabromocyclohexa-2,5-dienone (CAS 20244-61-5) is a chemical compound with molecular formula C6H2Br4O and molecular weight 405.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one
Also Known As: 2,4,4,6-Tetrabromo-2,5-cyclohexadienone, 2,4,4,6-Tetrabromocyclohexa-2,5-dienone, TBCO, 2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 2,4,4,6-tetrabromo-
| Molecular Formula | C6H2Br4O |
|---|---|
| Molecular Weight | 405.68 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 409.6798 |
| Heavy Atoms | 11 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 20244-61-5 |
|---|---|
| SMILES | C1=C(C(=O)C(=CC1(Br)Br)Br)Br |
| InChIKey | NJQJGRGGIUNVAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4,6-Tetrabromocyclohexa-2,5-dienone (CAS 20244-61-5), with molecular formula C6H2Br4O and molecular weight 405.68 g/mol. IUPAC: 2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,4,4,6-Tetrabromocyclohexa-2,5-dienone
Property Insights of 2,4,4,6-Tetrabromocyclohexa-2,5-dienone
The XLogP value of 3.9 indicates that 2,4,4,6-Tetrabromocyclohexa-2,5-dienone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4,4,6-Tetrabromocyclohexa-2,5-dienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4,6-Tetrabromocyclohexa-2,5-dienone has 0 hydrogen bond donor(s) and 1 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 2,4,4,6-Tetrabromocyclohexa-2,5-dienone?
The CAS number of 2,4,4,6-Tetrabromocyclohexa-2,5-dienone is 20244-61-5.
What is the molecular formula of 2,4,4,6-Tetrabromocyclohexa-2,5-dienone?
The molecular formula of 2,4,4,6-Tetrabromocyclohexa-2,5-dienone is C6H2Br4O.
What is the molecular weight of 2,4,4,6-Tetrabromocyclohexa-2,5-dienone?
The molecular weight of 2,4,4,6-Tetrabromocyclohexa-2,5-dienone is 405.68 g/mol.
Where can I buy 2,4,4,6-Tetrabromocyclohexa-2,5-dienone?
You can request a quote for 2,4,4,6-Tetrabromocyclohexa-2,5-dienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4,6-Tetrabromocyclohexa-2,5-dienone?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4,6-Tetrabromocyclohexa-2,5-dienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.