Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)
TL;DR: Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester) (CAS 67329-00-4) is a chemical compound with molecular formula C27H39NO6 and molecular weight 473.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethyl-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]butyl 3,4,5-trimethoxybenzoate
Also Known As: Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester), 4-[ethyl-[1-(2-methoxyphenyl)-2-methyl-propan-2-yl]amino]butyl 3,4,5-trimethoxybenzoate, 4-[ethyl-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]butyl 3,4,5-trimethoxybenzoate, 4-{Ethyl[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino}butyl 3,4,5-trimethoxybenzoate, RefChem:368684
| Molecular Formula | C27H39NO6 |
|---|---|
| Molecular Weight | 473.28 g/mol |
| LogP | 5.0012 |
| Topological Polar Surface Area | 66.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 473.27774 |
| Heavy Atoms | 34 |
| Complexity | 902.0815 |
Chemical Identifiers
| CAS Number | 67329-00-4 |
|---|---|
| SMILES | CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(C)(C)CC2=CC=CC=C2OC |
Product Overview
Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester) (CAS 67329-00-4), with molecular formula C27H39NO6 and molecular weight 473.28 g/mol. IUPAC: 4-[ethyl-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)
Property Insights of Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)
The XLogP value of 5.0012 indicates that Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester). Following Lipinski's Rule of Five, Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester) has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)?
The CAS number of Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester) is 67329-00-4.
What is the molecular formula of Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)?
The molecular formula of Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester) is C27H39NO6.
What is the molecular weight of Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)?
The molecular weight of Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester) is 473.28 g/mol.
Where can I buy Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)?
You can request a quote for Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 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 Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.