2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate
TL;DR: 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate (CAS 67466-27-7) is a chemical compound with molecular formula C22H32N2O5 and molecular weight 404.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate
Also Known As: 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate, Benzoic acid, 3,4,5-trimethoxy-, 4-(N-ethyl-N-pyrrol-3-ylethylamino)butyl ester, Pyrrole, 2-(2-(N-ethyl-N-(4-hydroxybutyl)amino)ethyl)-, 3,4,5-trimethoxybenzoate (ester), 4-{ethyl[2-(1H-pyrrol-2-yl)ethyl]amino}butyl 3,4,5-trimethoxybenzoate, 4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C22H32N2O5 |
|---|---|
| Molecular Weight | 404.23 g/mol |
| LogP | 3.5421 |
| Topological Polar Surface Area | 73.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 404.2311 |
| Heavy Atoms | 29 |
| Complexity | 720.66095 |
Chemical Identifiers
| CAS Number | 67466-27-7 |
|---|---|
| SMILES | CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CN2 |
Product Overview
2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate (CAS 67466-27-7), with molecular formula C22H32N2O5 and molecular weight 404.23 g/mol. IUPAC: 4-[ethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate
Property Insights of 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate
The XLogP value of 3.5421 indicates that 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate. Following Lipinski's Rule of Five, 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate has 1 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-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate?
The CAS number of 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate is 67466-27-7.
What is the molecular formula of 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate?
The molecular formula of 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate is C22H32N2O5.
What is the molecular weight of 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate?
The molecular weight of 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate is 404.23 g/mol.
Where can I buy 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate?
You can request a quote for 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 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-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(N-Ethyl-N-(4-hydroxybutyl)amino)ethyl)pyrrole 3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.