Hexobendine
TL;DR: Hexobendine (CAS 54-03-5) is a chemical compound with molecular formula C30H44N2O10 and molecular weight 592.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C30H44N2O10 |
|---|---|
| Molecular Weight | 592.30 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 592.2996 |
| Heavy Atoms | 42 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 54-03-5 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexobendine (CAS 54-03-5), with molecular formula C30H44N2O10 and molecular weight 592.30 g/mol. IUPAC: 3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl 3,4,5-trimethoxybenzoate.
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
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 592.30 g/mol.
Where can I buy Hexobendine?
You can request a quote for Hexobendine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexobendine?
Yes, KEHONG BIO provides custom synthesis services for Hexobendine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.