Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine
TL;DR: Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine (CAS 51945-56-3) is a chemical compound with molecular formula C17H23N and molecular weight 241.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-1-(4-methylphenyl)hex-5-en-1-yn-3-amine
Also Known As: Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine, diethyl(1-allyl-3-p-tolylprop-2-yn-1-yl)amine, N,N-diethyl-1-(p-tolyl)hex-5-en-1-yn-3-amine, N,N-diethyl-1-(4-methylphenyl)hex-5-en-1-yn-3-amine
| Molecular Formula | C17H23N |
|---|---|
| Molecular Weight | 241.18 g/mol |
| LogP | 3.63302 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.18304 |
| Heavy Atoms | 18 |
| Complexity | 415.16357 |
Chemical Identifiers
| CAS Number | 51945-56-3 |
|---|---|
| SMILES | CCN(CC)C(CC=C)C#CC1=CC=C(C=C1)C |
Product Overview
Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine (CAS 51945-56-3), with molecular formula C17H23N and molecular weight 241.18 g/mol. IUPAC: N,N-diethyl-1-(4-methylphenyl)hex-5-en-1-yn-3-amine.
Chemical Property Profile of Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine
Property Insights of Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine
The XLogP value of 3.63302 indicates that Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine has 0 hydrogen bond donor(s) and 1 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 Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine?
The CAS number of Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine is 51945-56-3.
What is the molecular formula of Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine?
The molecular formula of Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine is C17H23N.
What is the molecular weight of Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine?
The molecular weight of Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine is 241.18 g/mol.
Where can I buy Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine?
You can request a quote for Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-(1-p-tolylethynyl-but-3-enyl)-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.