Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)
TL;DR: Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester) (CAS 67293-21-4) is a chemical compound with molecular formula C21H27NO2 and molecular weight 325.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethyl(2-phenylethyl)amino]butyl benzoate
Also Known As: N-Ethyl-N-(4-hydroxybutyl)phenethylamine benzoate, 4-[ethyl(phenethyl)amino]butyl benzoate, 4-[ethyl(2-phenylethyl)amino]butyl benzoate, Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester), Benzoic acid 4-(ethylphenethylamino)butyl ester
| Molecular Formula | C21H27NO2 |
|---|---|
| Molecular Weight | 325.20 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 325.2042 |
| Heavy Atoms | 24 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 67293-21-4 |
|---|---|
| SMILES | CCN(CCCCOC(=O)C1=CC=CC=C1)CCC2=CC=CC=C2 |
| InChIKey | BTTMOTKCBSRTFY-UHFFFAOYSA-N |
Product Overview
Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester) (CAS 67293-21-4), with molecular formula C21H27NO2 and molecular weight 325.20 g/mol. IUPAC: 4-[ethyl(2-phenylethyl)amino]butyl benzoate.
Chemical Property Profile of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)
Property Insights of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)
The XLogP value of 5.1 indicates that Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester) has 0 hydrogen bond donor(s) and 3 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-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)?
The CAS number of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester) is 67293-21-4.
What is the molecular formula of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)?
The molecular formula of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester) is C21H27NO2.
What is the molecular weight of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)?
The molecular weight of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester) is 325.20 g/mol.
Where can I buy Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)?
You can request a quote for Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (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-ethyl-N-(4-hydroxybutyl)-, benzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, benzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.