Hexobendine dihydrochloride
TL;DR: Hexobendine dihydrochloride (CAS 50-62-4) is a chemical compound with molecular formula C30H46Cl2N2O10 and molecular weight 664.25 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;dihydrochloride
Also Known As: Hexobendine dihydrochloride, Andiamine, Ustimon, Reoxyl, Flussicor
| Molecular Formula | C30H46Cl2N2O10 |
|---|---|
| Molecular Weight | 664.25 g/mol |
| LogP | 4.24 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 664.2529 |
| Heavy Atoms | 44 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 50-62-4 |
|---|---|
| SMILES | CN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCN(C)CCCOC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl.Cl |
| InChIKey | GIOKUMNZQFCEPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexobendine dihydrochloride (CAS 50-62-4), with molecular formula C30H46Cl2N2O10 and molecular weight 664.25 g/mol. IUPAC: 3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl 3,4,5-trimethoxybenzoate;dihydrochloride.
Chemical Property Profile of Hexobendine dihydrochloride
Property Insights of Hexobendine dihydrochloride
The XLogP value of 4.24 indicates that Hexobendine dihydrochloride 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 dihydrochloride. Following Lipinski's Rule of Five, Hexobendine dihydrochloride has 2 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 dihydrochloride?
The CAS number of Hexobendine dihydrochloride is 50-62-4.
What is the molecular formula of Hexobendine dihydrochloride?
The molecular formula of Hexobendine dihydrochloride is C30H46Cl2N2O10.
What is the molecular weight of Hexobendine dihydrochloride?
The molecular weight of Hexobendine dihydrochloride is 664.25 g/mol.
Where can I buy Hexobendine dihydrochloride?
You can request a quote for Hexobendine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexobendine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hexobendine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.