2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate
TL;DR: 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate (CAS 34140-59-5) is a chemical compound with molecular formula C26H33NO9 and molecular weight 503.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
Also Known As: Trimebutine maleate, Trimebutine (maleate), Trimebutine maleate salt, 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate, Debridat;Maleate Salt, Trimebutine;Trimebutine Maleate Salt; TM 906; TM906; TM-906
| Molecular Formula | C26H33NO9 |
|---|---|
| Molecular Weight | 503.22 g/mol |
| LogP | 3.4481 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 503.21555 |
| Heavy Atoms | 36 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 34140-59-5 |
|---|---|
| SMILES | CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=CC(=O)O)C(=O)O |
| InChIKey | FSRLGULMGJGKGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate (CAS 34140-59-5), with molecular formula C26H33NO9 and molecular weight 503.22 g/mol. IUPAC: but-2-enedioic acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate
Property Insights of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate
The XLogP value of 3.4481 indicates that 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate. Following Lipinski's Rule of Five, 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate?
The CAS number of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate is 34140-59-5.
What is the molecular formula of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate?
The molecular formula of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate is C26H33NO9.
What is the molecular weight of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate?
The molecular weight of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate is 503.22 g/mol.
Where can I buy 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate?
You can request a quote for 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.