Hexobendine
TL;DR: Hexobendine (CAS 54-03-5) is a chemical compound with molecular formula C30H44N2O10 and molecular weight 592.2996 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl 3,4,5-trimethoxybenzoate
Also Known As: Hexobendine, Hexabendin, Ditrymine, Ditrimin, Hexobendinum
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H44N2O10 |
| Molecular Weight | 592.2996 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 592.2996 Da |
| Heavy Atoms | 42 |
| Complexity | 684.0 |
| SMILES | CN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCN(C)CCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | KRQAMFQCSAJCRH-UHFFFAOYSA-N |
Product Description
Applications: Hexobendine 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 Hexobendine (CAS 54-03-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Hexobendine is a pharmaceutical intermediate identified by CAS number 54-03-5 and the molecular formula C30H44N2O10 and a molecular weight of 592.3 g/mol. It is also known as Hexobendine and Hexabendin.
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 Hexobendine
Property Insights of Hexobendine
The XLogP value of 3.9 indicates that Hexobendine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexobendine. Following Lipinski's Rule of Five, Hexobendine has 0 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 Hexobendine?
The CAS number of Hexobendine is 54-03-5.
What is the molecular formula of Hexobendine?
The molecular formula of Hexobendine is C30H44N2O10.
What is the molecular weight of Hexobendine?
The molecular weight of Hexobendine is 592.2996 g/mol.
What are the applications of Hexobendine?
Hexobendine 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 Hexobendine (CAS 54-03-5) with custom...
Where can I buy Hexobendine?
You can request a quote for Hexobendine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexobendine?
Yes, CoreyChem provides custom synthesis services for Hexobendine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.