Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
TL;DR: Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) (CAS 67293-15-6) is a chemical compound with molecular formula C29H35NO5 and molecular weight 477.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[benzyl(2-phenylethyl)amino]butyl 3,4,5-trimethoxybenzoate
Also Known As: 3,4,5-Trimethoxybenzoicacid4- butylester, Benzoic acid, 3,4,5-trimethoxy-, 4-(N-benzyl-N-phenethylamino)butyl ester, N-Benzyl-N-(4-hydroxybutyl)phenethylamine 3,4,5-trimethoxybenzoate, Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester), 4-[benzyl(2-phenylethyl)amino]butyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C29H35NO5 |
|---|---|
| Molecular Weight | 477.25 g/mol |
| LogP | 5.3943 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 477.25153 |
| Heavy Atoms | 35 |
| Complexity | 1014.4476 |
Chemical Identifiers
| CAS Number | 67293-15-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCN(CCC2=CC=CC=C2)CC3=CC=CC=C3 |
Product Overview
Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) (CAS 67293-15-6), with molecular formula C29H35NO5 and molecular weight 477.25 g/mol. IUPAC: 4-[benzyl(2-phenylethyl)amino]butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
Property Insights of Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
The XLogP value of 5.3943 indicates that Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 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, Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 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 Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
The CAS number of Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is 67293-15-6.
What is the molecular formula of Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
The molecular formula of Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is C29H35NO5.
What is the molecular weight of Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
The molecular weight of Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is 477.25 g/mol.
Where can I buy Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
You can request a quote for Phenethylamine, N-benzyl-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-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, N-benzyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.