5,7-Dimethoxycoumarin
TL;DR: 5,7-Dimethoxycoumarin (CAS 487-06-9) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7-dimethoxychromen-2-one
Also Known As: citropten, 5,7-Dimethoxycoumarin, Limettin, Citroptene, Limetin
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H10O4 |
| Molecular Weight | 206.0579 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0579 Da |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
| Melting Point | 147 °C |
| SMILES | COC1=CC2=C(C=CC(=O)O2)C(=C1)OC |
| InChIKey | NXJCRELRQHZBQA-UHFFFAOYSA-N |
Product Description
Applications: 5,7-Dimethoxycoumarin 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. CoreyChem supplies 5,7-Dimethoxycoumarin (CAS 487-06-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
5,7-Dimethoxycoumarin (CAS 487-06-9) is a pharmaceutical intermediate with the molecular formula C11H10O4 and a molecular weight of 206.06 g/mol. It is also known as citropten and 5,7-Dimethoxycoumarin.
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 5,7-Dimethoxycoumarin
Property Insights of 5,7-Dimethoxycoumarin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethoxycoumarin. With a topological polar surface area (TPSA) of 44.8 Ų, 5,7-Dimethoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethoxycoumarin has 0 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 5,7-Dimethoxycoumarin?
The CAS number of 5,7-Dimethoxycoumarin is 487-06-9.
What is the molecular formula of 5,7-Dimethoxycoumarin?
The molecular formula of 5,7-Dimethoxycoumarin is C11H10O4.
What is the molecular weight of 5,7-Dimethoxycoumarin?
The molecular weight of 5,7-Dimethoxycoumarin is 206.0579 g/mol.
What are the applications of 5,7-Dimethoxycoumarin?
5,7-Dimethoxycoumarin 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. CoreyChem supplies 5,7-Dimethoxycoumarin (CAS...
Where can I buy 5,7-Dimethoxycoumarin?
You can request a quote for 5,7-Dimethoxycoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,7-Dimethoxycoumarin?
Yes, CoreyChem provides custom synthesis services for 5,7-Dimethoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.