Chrysophanic acid-9-anthrone
TL;DR: Chrysophanic acid-9-anthrone (CAS 491-58-7) 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.
1,8-dihydroxy-3-methyl-10H-anthracen-9-one
Also Known As: CHRYSAROBIN, Chrysothrone, Chrysophanol-9-anthrone, Chrysophanol anthrone, Chrysophanic acid 9-anthrone
| Molecular Formula | C15H12O3 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.07864 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 491-58-7 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=CC=C3O |
| InChIKey | ZZBWSNKBZKPGAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chrysophanic acid-9-anthrone (CAS 491-58-7), with molecular formula C15H12O3 and molecular weight 240.08 g/mol. IUPAC: 1,8-dihydroxy-3-methyl-10H-anthracen-9-one.
Chemical Property Profile of Chrysophanic acid-9-anthrone
Property Insights of Chrysophanic acid-9-anthrone
The XLogP value of 3.6 indicates that Chrysophanic acid-9-anthrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Chrysophanic acid-9-anthrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chrysophanic acid-9-anthrone has 2 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 Chrysophanic acid-9-anthrone?
The CAS number of Chrysophanic acid-9-anthrone is 491-58-7.
What is the molecular formula of Chrysophanic acid-9-anthrone?
The molecular formula of Chrysophanic acid-9-anthrone is C15H12O3.
What is the molecular weight of Chrysophanic acid-9-anthrone?
The molecular weight of Chrysophanic acid-9-anthrone is 240.08 g/mol.
Where can I buy Chrysophanic acid-9-anthrone?
You can request a quote for Chrysophanic acid-9-anthrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysophanic acid-9-anthrone?
Yes, KEHONG BIO provides custom synthesis services for Chrysophanic acid-9-anthrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.