2-Bromo-1,4-dihydroxyanthraquinone
TL;DR: 2-Bromo-1,4-dihydroxyanthraquinone (CAS 81-52-7) is a chemical compound with molecular formula C14H7BrO4 and molecular weight 317.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,4-dihydroxyanthracene-9,10-dione
Also Known As: 2-Bromo-1,4-dihydroxyanthraquinone, 2-Bromoquinizarin, 2-bromoquinizarine, 2-bromo-1,4-dihydroxyanthracene-9,10-dione, 2-brom-1,4-dihydroxyanthraquinon
| Molecular Formula | C14H7BrO4 |
|---|---|
| Molecular Weight | 317.95 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.95276 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 81-52-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)Br)O |
| InChIKey | BPUAQNKWCBCCAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1,4-dihydroxyanthraquinone (CAS 81-52-7), with molecular formula C14H7BrO4 and molecular weight 317.95 g/mol. IUPAC: 2-bromo-1,4-dihydroxyanthracene-9,10-dione.
Chemical Property Profile of 2-Bromo-1,4-dihydroxyanthraquinone
Property Insights of 2-Bromo-1,4-dihydroxyanthraquinone
The XLogP value of 4.0 indicates that 2-Bromo-1,4-dihydroxyanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1,4-dihydroxyanthraquinone. Following Lipinski's Rule of Five, 2-Bromo-1,4-dihydroxyanthraquinone has 2 hydrogen bond donor(s) and 4 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-dihydroxyanthraquinone?
The CAS number of 2-Bromo-1,4-dihydroxyanthraquinone is 81-52-7.
What is the molecular formula of 2-Bromo-1,4-dihydroxyanthraquinone?
The molecular formula of 2-Bromo-1,4-dihydroxyanthraquinone is C14H7BrO4.
What is the molecular weight of 2-Bromo-1,4-dihydroxyanthraquinone?
The molecular weight of 2-Bromo-1,4-dihydroxyanthraquinone is 317.95 g/mol.
Where can I buy 2-Bromo-1,4-dihydroxyanthraquinone?
You can request a quote for 2-Bromo-1,4-dihydroxyanthraquinone 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-dihydroxyanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1,4-dihydroxyanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.