Trimethylpsoralen
TL;DR: Trimethylpsoralen (CAS 3902-71-4) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5,9-trimethylfuro[3,2-g]chromen-7-one
Also Known As: trioxsalen, Trioxysalen, Trimethylpsoralen, Trisoralen, 4,5',8-Trimethylpsoralen
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.07864 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.07864 Da |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
| Melting Point | 234.5 |
| SMILES | CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)C |
| InChIKey | FMHHVULEAZTJMA-UHFFFAOYSA-N |
Product Description
Applications: Trimethylpsoralen 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 Trimethylpsoralen (CAS 3902-71-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Trimethylpsoralen (CAS 3902-71-4) has the molecular formula C14H12O3 and a molecular weight of 228.08 g/mol. It is also known as trioxsalen and Trioxysalen.
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 Trimethylpsoralen
Property Insights of Trimethylpsoralen
The XLogP value of 3.0 indicates that Trimethylpsoralen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Trimethylpsoralen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylpsoralen 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 Trimethylpsoralen?
The CAS number of Trimethylpsoralen is 3902-71-4.
What is the molecular formula of Trimethylpsoralen?
The molecular formula of Trimethylpsoralen is C14H12O3.
What is the molecular weight of Trimethylpsoralen?
The molecular weight of Trimethylpsoralen is 228.07864 g/mol.
What are the applications of Trimethylpsoralen?
Trimethylpsoralen 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 Trimethylpsoralen (CAS 3902-71-4)...
Where can I buy Trimethylpsoralen?
You can request a quote for Trimethylpsoralen directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trimethylpsoralen?
Yes, CoreyChem provides custom synthesis services for Trimethylpsoralen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.