Bergapten
TL;DR: Bergapten (CAS 484-20-8) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methoxyfuro[3,2-g]chromen-7-one
Also Known As: Bergapten, 5-Methoxypsoralen, bergaptene, Heraclin, Majudin
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H8O4 |
| Molecular Weight | 216.04225 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 48.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04225 Da |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
| Melting Point | 370 °F (sublimes) (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | COC1=C2C=CC(=O)OC2=CC3=C1C=CO3 |
| InChIKey | BGEBZHIAGXMEMV-UHFFFAOYSA-N |
Product Description
Applications: Bergapten 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 Bergapten (CAS 484-20-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Bergapten is a pharmaceutical intermediate identified by CAS number 484-20-8 and the molecular formula C12H8O4 and a molecular weight of 216.04 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as Bergapten and 5-Methoxypsoralen.
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 Bergapten
Property Insights of Bergapten
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bergapten. With a topological polar surface area (TPSA) of 48.7 Ų, Bergapten exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bergapten 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 Bergapten?
The CAS number of Bergapten is 484-20-8.
What is the molecular formula of Bergapten?
The molecular formula of Bergapten is C12H8O4.
What is the molecular weight of Bergapten?
The molecular weight of Bergapten is 216.04225 g/mol.
What are the applications of Bergapten?
Bergapten 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 Bergapten (CAS 484-20-8) with custom...
Where can I buy Bergapten?
You can request a quote for Bergapten directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bergapten?
Yes, CoreyChem provides custom synthesis services for Bergapten and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.