Clofoctol
TL;DR: Clofoctol (CAS 37693-01-9) is a chemical compound with molecular formula C21H26Cl2O and molecular weight 364.13608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,4-dichlorophenyl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
Also Known As: clofoctol, Octofene, Clofoctolum, Clofoctolo, Gramplus
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H26Cl2O |
| Molecular Weight | 364.13608 g/mol |
| XLogP | 8.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.13608 Da |
| Heavy Atoms | 24 |
| Complexity | 401.0 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | HQVZOORKDNCGCK-UHFFFAOYSA-N |
Product Description
Applications: Clofoctol 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 Clofoctol (CAS 37693-01-9) 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, Clofoctol (CAS 37693-01-9) has the molecular formula C21H26Cl2O and a molecular weight of 364.14 g/mol. It is also known as clofoctol and Octofene.
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 Clofoctol
Property Insights of Clofoctol
The XLogP value of 8.1 indicates that Clofoctol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Clofoctol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Clofoctol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Clofoctol?
The CAS number of Clofoctol is 37693-01-9.
What is the molecular formula of Clofoctol?
The molecular formula of Clofoctol is C21H26Cl2O.
What is the molecular weight of Clofoctol?
The molecular weight of Clofoctol is 364.13608 g/mol.
What are the applications of Clofoctol?
Clofoctol 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 Clofoctol (CAS 37693-01-9) with custom...
Where can I buy Clofoctol?
You can request a quote for Clofoctol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Clofoctol?
Yes, CoreyChem provides custom synthesis services for Clofoctol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.