3-Methoxytropolone
TL;DR: 3-Methoxytropolone (CAS 65425-62-9) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-6-methoxycyclohepta-2,4,6-trien-1-one
Also Known As: 3-Methoxytropolone, Antibiotic XK-100, MY 3-469, MY-3-469, MY 3469
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 65425-62-9 |
|---|---|
| SMILES | COC1=CC(=O)C(=CC=C1)O |
| InChIKey | LCPIUODQEAEATK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxytropolone (CAS 65425-62-9), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: 2-hydroxy-6-methoxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 3-Methoxytropolone
Property Insights of 3-Methoxytropolone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxytropolone. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Methoxytropolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxytropolone has 1 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-Methoxytropolone?
The CAS number of 3-Methoxytropolone is 65425-62-9.
What is the molecular formula of 3-Methoxytropolone?
The molecular formula of 3-Methoxytropolone is C8H8O3.
What is the molecular weight of 3-Methoxytropolone?
The molecular weight of 3-Methoxytropolone is 152.05 g/mol.
Where can I buy 3-Methoxytropolone?
You can request a quote for 3-Methoxytropolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxytropolone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxytropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.