4-Methyltropolone
TL;DR: 4-Methyltropolone (CAS 583-80-2) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one
Also Known As: 4-methyltropolone, 4-Methyl-tropolone, 6-Methyltropolone, 2-Hydroxy-4-methyl-2,4,6-cycloheptatrien-1-one, 2-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one
| Molecular Formula | C8H8O2 |
|---|---|
| Molecular Weight | 136.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.05243 |
| Heavy Atoms | 10 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 583-80-2 |
|---|---|
| SMILES | CC1=CC(=O)C(=CC=C1)O |
| InChIKey | OTXSBWFUHZIFLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyltropolone (CAS 583-80-2), with molecular formula C8H8O2 and molecular weight 136.05 g/mol. IUPAC: 2-hydroxy-6-methylcyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 4-Methyltropolone
Property Insights of 4-Methyltropolone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyltropolone. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Methyltropolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyltropolone has 1 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 4-Methyltropolone?
The CAS number of 4-Methyltropolone is 583-80-2.
What is the molecular formula of 4-Methyltropolone?
The molecular formula of 4-Methyltropolone is C8H8O2.
What is the molecular weight of 4-Methyltropolone?
The molecular weight of 4-Methyltropolone is 136.05 g/mol.
Where can I buy 4-Methyltropolone?
You can request a quote for 4-Methyltropolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyltropolone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyltropolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.