Cabastine
TL;DR: Cabastine (CAS 79516-68-0) is a chemical compound with molecular formula C26H29FN2O2 and molecular weight 420.2213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid
Also Known As: Cabastine, levocabastine, Cabastinum, Cabastina, Cabastine [INN]
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H29FN2O2 |
| Molecular Weight | 420.2213 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.2213 Da |
| Heavy Atoms | 31 |
| Complexity | 681.0 |
| SMILES | CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F |
| InChIKey | ZCGOMHNNNFPNMX-UHFFFAOYSA-N |
Product Description
Applications: Cabastine 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Cabastine (CAS 79516-68-0) is a pharmaceutical intermediate with the molecular formula C26H29FN2O2 and a molecular weight of 420.22 g/mol. Synonyms include Cabastine and levocabastine.
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 Cabastine
Property Insights of Cabastine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cabastine. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Cabastine. Following Lipinski's Rule of Five, Cabastine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cabastine?
The CAS number of Cabastine is 79516-68-0.
What is the molecular formula of Cabastine?
The molecular formula of Cabastine is C26H29FN2O2.
What is the molecular weight of Cabastine?
The molecular weight of Cabastine is 420.2213 g/mol.
What are the applications of Cabastine?
Cabastine 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. Available from CoreyChem as both catalog item and...
Where can I buy Cabastine?
You can request a quote for Cabastine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cabastine?
Yes, CoreyChem provides custom synthesis services for Cabastine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.