Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
TL;DR: Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) (CAS 66903-17-1) is a chemical compound with molecular formula C23H31NO5 and molecular weight 401.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[benzyl(ethyl)amino]butyl 3,4,5-trimethoxybenzoate
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 4-(N-benzyl-N-ethylamino)butyl ester, N-Ethyl-N-(4-hydroxybutyl)benzylamine 3,4,5-trimethoxybenzoate, 4-[benzyl(ethyl)amino]butyl 3,4,5-trimethoxybenzoate, BENZYLAMINE, N-ETHYL-N-(4-HYDROXYBUTYL)-, 3,4,5-TRIMETHOXYBENZOATE (ester), 4-[Ethyl(phenylmethyl)amino]butyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C23H31NO5 |
|---|---|
| Molecular Weight | 401.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 401.2202 |
| Heavy Atoms | 29 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 66903-17-1 |
|---|---|
| SMILES | CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CC2=CC=CC=C2 |
| InChIKey | YPACQCLWOFAKFE-UHFFFAOYSA-N |
Product Overview
Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) (CAS 66903-17-1), with molecular formula C23H31NO5 and molecular weight 401.22 g/mol. IUPAC: 4-[benzyl(ethyl)amino]butyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
Property Insights of Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)
The XLogP value of 4.3 indicates that Benzylamine, N-ethyl-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 57.2 Ų, Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) has 0 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 Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
The CAS number of Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is 66903-17-1.
What is the molecular formula of Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
The molecular formula of Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is C23H31NO5.
What is the molecular weight of Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
The molecular weight of Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) is 401.22 g/mol.
Where can I buy Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
You can request a quote for Benzylamine, N-ethyl-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 Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,4,5-trimethoxybenzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.