2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate
TL;DR: 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate (CAS 58997-88-9) is a chemical compound with molecular formula C22H29NO5 and molecular weight 387.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate
Also Known As: Trimebutine, (+)-, Trimebutine, (-)-, 2-phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate, 2-(dimethylamino)-2-phenylbutyl (+-)-3,4,5-trimethoxybenzoate, 2-(Dimethylamino)-2-phenylbutyl (+)-3,4,5-trimethoxybenzoate
| Molecular Formula | C22H29NO5 |
|---|---|
| Molecular Weight | 387.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 387.20456 |
| Heavy Atoms | 28 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 58997-88-9 |
|---|---|
| SMILES | CCC(COC(=O)C1=CC(=C(C(=C1N(C)C)OC)OC)OC)C2=CC=CC=C2 |
| InChIKey | XRINAHRTJYGJSX-UHFFFAOYSA-N |
Product Overview
2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate (CAS 58997-88-9), with molecular formula C22H29NO5 and molecular weight 387.20 g/mol. IUPAC: 2-phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate
Property Insights of 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate
The XLogP value of 4.5 indicates that 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate?
The CAS number of 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate is 58997-88-9.
What is the molecular formula of 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate?
The molecular formula of 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate is C22H29NO5.
What is the molecular weight of 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate?
The molecular weight of 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate is 387.20 g/mol.
Where can I buy 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate?
You can request a quote for 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylbutyl 2-(dimethylamino)-3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.