Bexarotene
TL;DR: Bexarotene (CAS 153559-49-0) is a chemical compound with molecular formula C24H28O2 and molecular weight 348.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
Also Known As: Bexarotene, Targretin, Targrexin, Targretyn, bexaroteno
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H28O2 |
| Molecular Weight | 348.20892 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.20892 Da |
| Heavy Atoms | 26 |
| Complexity | 551.0 |
| Melting Point | 230-231 °C |
| Solubility | Insoluble in water and slightly soluble in vegetable oils and ethanol |
| SMILES | CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C |
| InChIKey | NAVMQTYZDKMPEU-UHFFFAOYSA-N |
Chemical Property Profile of Bexarotene
Property Insights of Bexarotene
The XLogP value of 7.6 indicates that Bexarotene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Bexarotene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bexarotene has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bexarotene?
The CAS number of Bexarotene is 153559-49-0.
What is the molecular formula of Bexarotene?
The molecular formula of Bexarotene is C24H28O2.
What is the molecular weight of Bexarotene?
The molecular weight of Bexarotene is 348.20892 g/mol.
Where can I buy Bexarotene?
You can request a quote for Bexarotene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bexarotene?
Yes, CoreyChem provides custom synthesis services for Bexarotene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.