2-Bromo-3-methylanthraquinone
TL;DR: 2-Bromo-3-methylanthraquinone (CAS 84-44-6) is a chemical compound with molecular formula C15H9BrO2 and molecular weight 299.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methylanthracene-9,10-dione
Also Known As: 2-bromo-3-methylanthracene-9,10-dione, 2-Bromo-3-methylanthraquinone, 2-Methyl-3-bromoanthraquinone, 9,10-Anthracenedione, 2-bromo-3-methyl-, J3.421.926E
| Molecular Formula | C15H9BrO2 |
|---|---|
| Molecular Weight | 299.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.97858 |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 84-44-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Br)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | IXIDAURFOMZGCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3-methylanthraquinone (CAS 84-44-6), with molecular formula C15H9BrO2 and molecular weight 299.98 g/mol. IUPAC: 2-bromo-3-methylanthracene-9,10-dione.
Chemical Property Profile of 2-Bromo-3-methylanthraquinone
Property Insights of 2-Bromo-3-methylanthraquinone
The XLogP value of 3.9 indicates that 2-Bromo-3-methylanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Bromo-3-methylanthraquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-methylanthraquinone 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-3-methylanthraquinone?
The CAS number of 2-Bromo-3-methylanthraquinone is 84-44-6.
What is the molecular formula of 2-Bromo-3-methylanthraquinone?
The molecular formula of 2-Bromo-3-methylanthraquinone is C15H9BrO2.
What is the molecular weight of 2-Bromo-3-methylanthraquinone?
The molecular weight of 2-Bromo-3-methylanthraquinone is 299.98 g/mol.
Where can I buy 2-Bromo-3-methylanthraquinone?
You can request a quote for 2-Bromo-3-methylanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-methylanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-methylanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.