9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-
TL;DR: 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy- (CAS 72036-12-5) is a chemical compound with molecular formula C15H9BrO4 and molecular weight 331.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-1,8-dihydroxyanthracene-9,10-dione
Also Known As: 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-, 2-(Bromomethyl)-4,5-dihydroxyanthraquinone, 3-(bromomethyl)-1,8-dihydroxyanthracene-9,10-dione, 3-bromomethyl-1,8-dihydroxy-9,10-anthraquinone, 3-(bromomethyl)-1,8-dihydroxy-9,10-anthraquinone
| Molecular Formula | C15H9BrO4 |
|---|---|
| Molecular Weight | 331.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.9684 |
| Heavy Atoms | 20 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 72036-12-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CBr |
| InChIKey | HZLDTTNIJNQGEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy- (CAS 72036-12-5), with molecular formula C15H9BrO4 and molecular weight 331.97 g/mol. IUPAC: 3-(bromomethyl)-1,8-dihydroxyanthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-
Property Insights of 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-
The XLogP value of 3.3 indicates that 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy- 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 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy- 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 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-?
The CAS number of 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy- is 72036-12-5.
What is the molecular formula of 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-?
The molecular formula of 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy- is C15H9BrO4.
What is the molecular weight of 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-?
The molecular weight of 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy- is 331.97 g/mol.
Where can I buy 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-?
You can request a quote for 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 3-(bromomethyl)-1,8-dihydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.