Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester)
TL;DR: Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester) (CAS 67293-22-5) is a chemical compound with molecular formula C21H29N3O2 and molecular weight 355.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethyl(2-phenylethyl)amino]butyl 3,5-diaminobenzoate
Also Known As: 3,5-Diaminobenzoicacid4- butylester, N-Ethyl-N-(4-hydroxybutyl)phenethylamine 3,5-diaminobenzoate, Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester), 4-[ethyl(2-phenylethyl)amino]butyl 3,5-diaminobenzoate, 4-[ethyl(phenethyl)amino]butyl 3,5-diaminobenzoate
| Molecular Formula | C21H29N3O2 |
|---|---|
| Molecular Weight | 355.23 g/mol |
| LogP | 3.3526 |
| Topological Polar Surface Area | 81.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 355.22598 |
| Heavy Atoms | 26 |
| Complexity | 668.66046 |
Chemical Identifiers
| CAS Number | 67293-22-5 |
|---|---|
| SMILES | CCN(CCCCOC(=O)C1=CC(=CC(=C1)N)N)CCC2=CC=CC=C2 |
Product Overview
Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester) (CAS 67293-22-5), with molecular formula C21H29N3O2 and molecular weight 355.23 g/mol. IUPAC: 4-[ethyl(2-phenylethyl)amino]butyl 3,5-diaminobenzoate.
Chemical Property Profile of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester)
Property Insights of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester)
The XLogP value of 3.3526 indicates that Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester). Following Lipinski's Rule of Five, Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester) has 2 hydrogen bond donor(s) and 5 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-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester)?
The CAS number of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester) is 67293-22-5.
What is the molecular formula of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester)?
The molecular formula of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester) is C21H29N3O2.
What is the molecular weight of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester)?
The molecular weight of Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester) is 355.23 g/mol.
Where can I buy Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester)?
You can request a quote for Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (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)-, 3,5-diaminobenzoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Phenethylamine, N-ethyl-N-(4-hydroxybutyl)-, 3,5-diaminobenzoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.