Hydroxymethyltrioxsalen
TL;DR: Hydroxymethyltrioxsalen (CAS 62442-59-5) is a chemical compound with molecular formula C15H14O4 and molecular weight 258.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(hydroxymethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one
Also Known As: Hydroxymethyltrioxsalen, 4'-hydroxymethyltrioxsalen, 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN, 4'-(Hydroxymethyl)-4,5',8-trimethylpsoralen, 3-(Hydroxymethyl)-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H14O4 |
| Molecular Weight | 258.0892 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.0892 Da |
| Heavy Atoms | 19 |
| Complexity | 416.0 |
| SMILES | CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CO)C |
| InChIKey | RGJSDHXSAKMPNM-UHFFFAOYSA-N |
Chemical Property Profile of Hydroxymethyltrioxsalen
Property Insights of Hydroxymethyltrioxsalen
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxymethyltrioxsalen. With a topological polar surface area (TPSA) of 59.7 Ų, Hydroxymethyltrioxsalen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxymethyltrioxsalen has 1 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 Hydroxymethyltrioxsalen?
The CAS number of Hydroxymethyltrioxsalen is 62442-59-5.
What is the molecular formula of Hydroxymethyltrioxsalen?
The molecular formula of Hydroxymethyltrioxsalen is C15H14O4.
What is the molecular weight of Hydroxymethyltrioxsalen?
The molecular weight of Hydroxymethyltrioxsalen is 258.0892 g/mol.
Where can I buy Hydroxymethyltrioxsalen?
You can request a quote for Hydroxymethyltrioxsalen directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hydroxymethyltrioxsalen?
Yes, CoreyChem provides custom synthesis services for Hydroxymethyltrioxsalen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.