3-Methylanthralin
TL;DR: 3-Methylanthralin (CAS 491-59-8) is a chemical compound with molecular formula C15H12O3 and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylanthracene-1,8,9-triol
Also Known As: CHRYSAROBIN, 3-Methylanthralin, Purified araroba, 3-Methyl-1,8,9-anthracenetriol, Chrysophanic acid anthranol
| Molecular Formula | C15H12O3 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.07864 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 491-59-8 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=C3C(=C2)C=CC=C3O)O |
| InChIKey | JBGKVNQFVAJOGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylanthralin (CAS 491-59-8), with molecular formula C15H12O3 and molecular weight 240.08 g/mol. IUPAC: 3-methylanthracene-1,8,9-triol.
Chemical Property Profile of 3-Methylanthralin
Property Insights of 3-Methylanthralin
The XLogP value of 4.3 indicates that 3-Methylanthralin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylanthralin. Following Lipinski's Rule of Five, 3-Methylanthralin has 3 hydrogen bond donor(s) and 3 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-Methylanthralin?
The CAS number of 3-Methylanthralin is 491-59-8.
What is the molecular formula of 3-Methylanthralin?
The molecular formula of 3-Methylanthralin is C15H12O3.
What is the molecular weight of 3-Methylanthralin?
The molecular weight of 3-Methylanthralin is 240.08 g/mol.
Where can I buy 3-Methylanthralin?
You can request a quote for 3-Methylanthralin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylanthralin?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylanthralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.