N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)
TL;DR: N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) (CAS 67293-41-8) is a chemical compound with molecular formula C27H39NO5 and molecular weight 457.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[ethyl(2-phenylethyl)amino]-2-methylhexan-3-yl] 3,4,5-trimethoxybenzoate
Also Known As: N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester), Phenethylamine, N-ethyl-N-(4-hydroxy-5-methylhexyl)-, 3,4,5-trimethoxybenzoate (ester), 6-[Ethyl(2-phenylethyl)amino]-2-methylhexan-3-yl 3,4,5-trimethoxybenzoate, [6-[ethyl(phenethyl)amino]-2-methylhexan-3-yl] 3,4,5-trimethoxybenzoate, 3,4,5-Trimethoxybenzoic acid 4-[ethyl(phenethyl)amino]-1-isopropylbutyl ester
| Molecular Formula | C27H39NO5 |
|---|---|
| Molecular Weight | 457.28 g/mol |
| LogP | 5.2386 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 457.28284 |
| Heavy Atoms | 33 |
| Complexity | 827.8403 |
Chemical Identifiers
| CAS Number | 67293-41-8 |
|---|---|
| SMILES | CCN(CCCC(C(C)C)OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CC=C2 |
Product Overview
N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) (CAS 67293-41-8), with molecular formula C27H39NO5 and molecular weight 457.28 g/mol. IUPAC: [6-[ethyl(2-phenylethyl)amino]-2-methylhexan-3-yl] 3,4,5-trimethoxybenzoate.
Chemical Property Profile of N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)
Property Insights of N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)
The XLogP value of 5.2386 indicates that N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)?
The CAS number of N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) is 67293-41-8.
What is the molecular formula of N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)?
The molecular formula of N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) is C27H39NO5.
What is the molecular weight of N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)?
The molecular weight of N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) is 457.28 g/mol.
Where can I buy N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)?
You can request a quote for N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-N-(4-hydroxy-5-methylhexyl)phenethylamine 3,4,5-trimethoxybenzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.