3-Methoxyanthracen-9(10H)-one
TL;DR: 3-Methoxyanthracen-9(10H)-one (CAS 5449-96-7) is a chemical compound with molecular formula C15H12O2 and molecular weight 224.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-10H-anthracen-9-one
Also Known As: 3-Methoxyanthracen-9(10H)-one, 3-methoxy-10H-anthracen-9-one
| Molecular Formula | C15H12O2 |
|---|---|
| Molecular Weight | 224.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.08372 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 5449-96-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2 |
| InChIKey | ATIKBGZXCQYYDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxyanthracen-9(10H)-one (CAS 5449-96-7), with molecular formula C15H12O2 and molecular weight 224.08 g/mol. IUPAC: 3-methoxy-10H-anthracen-9-one.
Chemical Property Profile of 3-Methoxyanthracen-9(10H)-one
Property Insights of 3-Methoxyanthracen-9(10H)-one
The XLogP value of 3.7 indicates that 3-Methoxyanthracen-9(10H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methoxyanthracen-9(10H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyanthracen-9(10H)-one 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 3-Methoxyanthracen-9(10H)-one?
The CAS number of 3-Methoxyanthracen-9(10H)-one is 5449-96-7.
What is the molecular formula of 3-Methoxyanthracen-9(10H)-one?
The molecular formula of 3-Methoxyanthracen-9(10H)-one is C15H12O2.
What is the molecular weight of 3-Methoxyanthracen-9(10H)-one?
The molecular weight of 3-Methoxyanthracen-9(10H)-one is 224.08 g/mol.
Where can I buy 3-Methoxyanthracen-9(10H)-one?
You can request a quote for 3-Methoxyanthracen-9(10H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyanthracen-9(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyanthracen-9(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.