6-Methylcoumarin
TL;DR: 6-Methylcoumarin (CAS 92-48-8) is a chemical compound with molecular formula C10H8O2 and molecular weight 160.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylchromen-2-one
Also Known As: 6-Methylcoumarin, Toncarine, 6-Methyl coumarin, 6-Methyl-2H-chromen-2-one, 6-Methylbenzopyrone
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8O2 |
| Molecular Weight | 160.05243 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.05243 Da |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
| Melting Point | 167 to 169 °F (NTP, 1992) |
| Boiling Point | 577 °F at 725 mmHg (NTP, 1992) |
| Flash Point | 266 °F (NTP, 1992) |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | CC1=CC2=C(C=C1)OC(=O)C=C2 |
| InChIKey | FXFYOPQLGGEACP-UHFFFAOYSA-N |
Product Description
Applications: 6-Methylcoumarin is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
6-Methylcoumarin is a pharmaceutical intermediate identified by CAS number 92-48-8 and the molecular formula C10H8O2 and a molecular weight of 160.05 g/mol. Physically, the compound has a solubility: Insoluble (NTP, 1992). Synonyms include 6-Methylcoumarin and Toncarine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 6-Methylcoumarin
Property Insights of 6-Methylcoumarin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylcoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylcoumarin 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
What is the CAS number of 6-Methylcoumarin?
The CAS number of 6-Methylcoumarin is 92-48-8.
What is the molecular formula of 6-Methylcoumarin?
The molecular formula of 6-Methylcoumarin is C10H8O2.
What is the molecular weight of 6-Methylcoumarin?
The molecular weight of 6-Methylcoumarin is 160.05243 g/mol.
What are the applications of 6-Methylcoumarin?
6-Methylcoumarin is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 6-Methylcoumarin?
You can request a quote for 6-Methylcoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methylcoumarin?
Yes, CoreyChem provides custom synthesis services for 6-Methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.