6-Bromo-1,2-naphthoquinone
TL;DR: 6-Bromo-1,2-naphthoquinone (CAS 6954-48-9) is a chemical compound with molecular formula C10H5BrO2 and molecular weight 235.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromonaphthalene-1,2-dione
Also Known As: Bonaphthone, 6-bromonaphthalene-1,2-dione, Bonafton, Bonaphthon, Bonaphton
| Molecular Formula | C10H5BrO2 |
|---|---|
| Molecular Weight | 235.95 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.9473 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 6954-48-9 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=O)C2=O)C=C1Br |
| InChIKey | MXWZRRPNVLCHMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromo-1,2-naphthoquinone (CAS 6954-48-9), with molecular formula C10H5BrO2 and molecular weight 235.95 g/mol. IUPAC: 6-bromonaphthalene-1,2-dione.
Chemical Property Profile of 6-Bromo-1,2-naphthoquinone
Property Insights of 6-Bromo-1,2-naphthoquinone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-1,2-naphthoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 6-Bromo-1,2-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-1,2-naphthoquinone 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 6-Bromo-1,2-naphthoquinone?
The CAS number of 6-Bromo-1,2-naphthoquinone is 6954-48-9.
What is the molecular formula of 6-Bromo-1,2-naphthoquinone?
The molecular formula of 6-Bromo-1,2-naphthoquinone is C10H5BrO2.
What is the molecular weight of 6-Bromo-1,2-naphthoquinone?
The molecular weight of 6-Bromo-1,2-naphthoquinone is 235.95 g/mol.
Where can I buy 6-Bromo-1,2-naphthoquinone?
You can request a quote for 6-Bromo-1,2-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-1,2-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-1,2-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.