2-(4-Bromophenyl)-1,4-benzoquinone
TL;DR: 2-(4-Bromophenyl)-1,4-benzoquinone (CAS 30100-33-5) is a chemical compound with molecular formula C12H7BrO2 and molecular weight 261.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: ChemDiv3_003834, 2-(4-bromophenyl)-1,4-benzoquinone, 4'-bromo-[1,1'-biphenyl]-2,5-dione, 2-(4-bromophenyl)cyclohexa-2,5-diene-1,4-dione, 4 -Bromobiphenyl-2,5-dione
| Molecular Formula | C12H7BrO2 |
|---|---|
| Molecular Weight | 261.96 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.96295 |
| Heavy Atoms | 15 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 30100-33-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=O)C=CC2=O)Br |
| InChIKey | DCXJTWHQLXIVPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Bromophenyl)-1,4-benzoquinone (CAS 30100-33-5), with molecular formula C12H7BrO2 and molecular weight 261.96 g/mol. IUPAC: 2-(4-bromophenyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(4-Bromophenyl)-1,4-benzoquinone
Property Insights of 2-(4-Bromophenyl)-1,4-benzoquinone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-1,4-benzoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2-(4-Bromophenyl)-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-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-(4-Bromophenyl)-1,4-benzoquinone?
The CAS number of 2-(4-Bromophenyl)-1,4-benzoquinone is 30100-33-5.
What is the molecular formula of 2-(4-Bromophenyl)-1,4-benzoquinone?
The molecular formula of 2-(4-Bromophenyl)-1,4-benzoquinone is C12H7BrO2.
What is the molecular weight of 2-(4-Bromophenyl)-1,4-benzoquinone?
The molecular weight of 2-(4-Bromophenyl)-1,4-benzoquinone is 261.96 g/mol.
Where can I buy 2-(4-Bromophenyl)-1,4-benzoquinone?
You can request a quote for 2-(4-Bromophenyl)-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-(4-Bromophenyl)-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.