2-Bromo-1,4-benzoquinone
TL;DR: 2-Bromo-1,4-benzoquinone (CAS 3958-82-5) is a chemical compound with molecular formula C6H3BrO2 and molecular weight 185.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromocyclohexa-2,5-diene-1,4-dione
Also Known As: 2-Bromo-1,4-benzoquinone, 2-bromocyclohexa-2,5-diene-1,4-dione, Bromoquinone, 2-Bromoquinone, Vincosamide
| Molecular Formula | C6H3BrO2 |
|---|---|
| Molecular Weight | 185.93 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.93164 |
| Heavy Atoms | 9 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 3958-82-5 |
|---|---|
| SMILES | C1=CC(=O)C(=CC1=O)Br |
| InChIKey | PYEQXZOIQJWYAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1,4-benzoquinone (CAS 3958-82-5), with molecular formula C6H3BrO2 and molecular weight 185.93 g/mol. IUPAC: 2-bromocyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Bromo-1,4-benzoquinone
Property Insights of 2-Bromo-1,4-benzoquinone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1,4-benzoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Bromo-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1,4-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 2-Bromo-1,4-benzoquinone?
The CAS number of 2-Bromo-1,4-benzoquinone is 3958-82-5.
What is the molecular formula of 2-Bromo-1,4-benzoquinone?
The molecular formula of 2-Bromo-1,4-benzoquinone is C6H3BrO2.
What is the molecular weight of 2-Bromo-1,4-benzoquinone?
The molecular weight of 2-Bromo-1,4-benzoquinone is 185.93 g/mol.
Where can I buy 2-Bromo-1,4-benzoquinone?
You can request a quote for 2-Bromo-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.