Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
TL;DR: Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) (CAS 67293-55-4) 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.
4-(2-phenylethylamino)butyl 3,4,5-trimethoxybenzoate
Also Known As: N-(4-Hydroxybutyl)phenethylamine 3,4,5-trimethoxybenzoate, 4-(phenethylamino)butyl 3,4,5-trimethoxybenzoate, Benzoic acid, 3,4,5-trimethoxy-, 4-(N-phenethylamino)butyl ester, Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester), 4-[(2-PHENYLETHYL)AMINO]BUTYL 3,4,5-TRIMETHOXYBENZOATE
| Molecular Formula | C22H29NO5 |
|---|---|
| Molecular Weight | 387.20 g/mol |
| LogP | 3.4817 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 387.20456 |
| Heavy Atoms | 28 |
| Complexity | 707.95703 |
Chemical Identifiers
| CAS Number | 67293-55-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCNCCC2=CC=CC=C2 |
Product Overview
Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) (CAS 67293-55-4), with molecular formula C22H29NO5 and molecular weight 387.20 g/mol. IUPAC: 4-(2-phenylethylamino)butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
Property Insights of Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
The XLogP value of 3.4817 indicates that Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester). Following Lipinski's Rule of Five, Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) 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 Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
The CAS number of Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is 67293-55-4.
What is the molecular formula of Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
The molecular formula of Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is C22H29NO5.
What is the molecular weight of Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
The molecular weight of Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is 387.20 g/mol.
Where can I buy Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
You can request a quote for Phenethylamine, N-(4-hydroxybutyl)-, 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, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.