Benzonatate
TL;DR: Benzonatate (CAS 104-31-4) is a chemical compound with molecular formula C30H53NO11 and molecular weight 603.3619 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
Also Known As: Benzonatate, Benzononatine, Tessalon, Benzononantin, Exangit
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H53NO11 |
| Molecular Weight | 603.3619 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 33 |
| Exact Mass | 603.3619 Da |
| Heavy Atoms | 42 |
| Complexity | 565.0 |
| Solubility | Soluble in most organic solvents except aliphatic hydrocarbons |
| SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC |
| InChIKey | MAFMQEKGGFWBAB-UHFFFAOYSA-N |
Product Description
Applications: Benzonatate 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 Benzonatate (CAS 104-31-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzonatate (CAS 104-31-4) is a pharmaceutical intermediate with the molecular formula C30H53NO11 and a molecular weight of 603.36 g/mol. Key physical properties include a solubility: Soluble in most organic solvents except aliphatic hydrocarbons. It is also known as Benzonatate and Benzononatine.
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 Benzonatate
Property Insights of Benzonatate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonatate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonatate. Following Lipinski's Rule of Five, Benzonatate has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzonatate?
The CAS number of Benzonatate is 104-31-4.
What is the molecular formula of Benzonatate?
The molecular formula of Benzonatate is C30H53NO11.
What is the molecular weight of Benzonatate?
The molecular weight of Benzonatate is 603.3619 g/mol.
What are the applications of Benzonatate?
Benzonatate 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 Benzonatate (CAS 104-31-4) with custom...
Where can I buy Benzonatate?
You can request a quote for Benzonatate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonatate?
Yes, CoreyChem provides custom synthesis services for Benzonatate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.