3-Bromo-1,2-naphthoquinone
TL;DR: 3-Bromo-1,2-naphthoquinone (CAS 7474-83-1) 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.
3-bromonaphthalene-1,2-dione
Also Known As: 3-Bromo-1,2-naphthoquinone, 3-bromonaphthalene-1,2-dione, 1, 3-bromo-, 3-bromo-o-naphthoquinone, 1,2-Naphthoquinone, 3-bromo-
| Molecular Formula | C10H5BrO2 |
|---|---|
| Molecular Weight | 235.95 g/mol |
| LogP | 2.4 |
| 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 | 293.0 |
Chemical Identifiers
| CAS Number | 7474-83-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)C2=O)Br |
| InChIKey | ZUAIQPLHNIKQPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-1,2-naphthoquinone (CAS 7474-83-1), with molecular formula C10H5BrO2 and molecular weight 235.95 g/mol. IUPAC: 3-bromonaphthalene-1,2-dione.
Chemical Property Profile of 3-Bromo-1,2-naphthoquinone
Property Insights of 3-Bromo-1,2-naphthoquinone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1,2-naphthoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Bromo-1,2-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Bromo-1,2-naphthoquinone?
The CAS number of 3-Bromo-1,2-naphthoquinone is 7474-83-1.
What is the molecular formula of 3-Bromo-1,2-naphthoquinone?
The molecular formula of 3-Bromo-1,2-naphthoquinone is C10H5BrO2.
What is the molecular weight of 3-Bromo-1,2-naphthoquinone?
The molecular weight of 3-Bromo-1,2-naphthoquinone is 235.95 g/mol.
Where can I buy 3-Bromo-1,2-naphthoquinone?
You can request a quote for 3-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 3-Bromo-1,2-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,2-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.