Methylumbelliferone
TL;DR: Methylumbelliferone (CAS 531-59-9) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxychromen-2-one
Also Known As: 7-Methoxycoumarin, Herniarin, Ayapanin, Herniarine, Methylumbelliferone
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.04735 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04735 Da |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
| Melting Point | 117 - 118 °C |
| Boiling Point | 334.00 to 335.00 °C. @ 760.00 mm Hg |
| Solubility | 0.133 mg/mL |
| SMILES | COC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | LIIALPBMIOVAHH-UHFFFAOYSA-N |
Product Description
Applications: Methylumbelliferone is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. 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).
Methylumbelliferone (CAS 531-59-9) is a pharmaceutical intermediate with the molecular formula C10H8O3 and a molecular weight of 176.05 g/mol. Key physical properties include a solubility: 0.133 mg/mL. Synonyms include 7-Methoxycoumarin and Herniarin.
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 Methylumbelliferone
Property Insights of Methylumbelliferone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylumbelliferone. With a topological polar surface area (TPSA) of 35.5 Ų, Methylumbelliferone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylumbelliferone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methylumbelliferone?
The CAS number of Methylumbelliferone is 531-59-9.
What is the molecular formula of Methylumbelliferone?
The molecular formula of Methylumbelliferone is C10H8O3.
What is the molecular weight of Methylumbelliferone?
The molecular weight of Methylumbelliferone is 176.04735 g/mol.
What are the applications of Methylumbelliferone?
Methylumbelliferone is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg...
Where can I buy Methylumbelliferone?
You can request a quote for Methylumbelliferone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylumbelliferone?
Yes, CoreyChem provides custom synthesis services for Methylumbelliferone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.