海索苯定二盐酸盐
TL;DR: 海索苯定二盐酸盐 (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.
海索苯定二盐酸盐
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
海索苯定二盐酸盐 (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 海索苯定二盐酸盐
Property Insights of 海索苯定二盐酸盐
The XLogP value of 4.24 indicates that 海索苯定二盐酸盐 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 海索苯定二盐酸盐. Following Lipinski's Rule of Five, 海索苯定二盐酸盐 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 海索苯定二盐酸盐?
The CAS number of 海索苯定二盐酸盐 is 50-62-4.
What is the molecular formula of 海索苯定二盐酸盐?
The molecular formula of 海索苯定二盐酸盐 is C30H46Cl2N2O10.
What is the molecular weight of 海索苯定二盐酸盐?
The molecular weight of 海索苯定二盐酸盐 is 664.25 g/mol.
Where can I buy 海索苯定二盐酸盐?
You can request a quote for 海索苯定二盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 海索苯定二盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 海索苯定二盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.