6-Methoxymellein
TL;DR: 6-Methoxymellein (CAS 13410-15-6) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-8-hydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one
Also Known As: 6-Methoxymellein, Isocoumarin, (R)-6-methoxymellein, (-)-6-Methoxymellein, (R)-(-)-6-methoxymellein
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.07356 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.07356 Da |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| SMILES | C[C@@H]1CC2=C(C(=CC(=C2)OC)O)C(=O)O1 |
| InChIKey | AIFNAMVERSBWPS-ZCFIWIBFSA-N |
Chemical Property Profile of 6-Methoxymellein
Property Insights of 6-Methoxymellein
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxymellein. With a topological polar surface area (TPSA) of 55.8 Ų, 6-Methoxymellein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxymellein has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Methoxymellein?
The CAS number of 6-Methoxymellein is 13410-15-6.
What is the molecular formula of 6-Methoxymellein?
The molecular formula of 6-Methoxymellein is C11H12O4.
What is the molecular weight of 6-Methoxymellein?
The molecular weight of 6-Methoxymellein is 208.07356 g/mol.
Where can I buy 6-Methoxymellein?
You can request a quote for 6-Methoxymellein directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methoxymellein?
Yes, CoreyChem provides custom synthesis services for 6-Methoxymellein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.