4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-
TL;DR: 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl- (CAS 101171-90-8) is a chemical compound with molecular formula C13H23NO and molecular weight 209.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5-butoxy-N,N-diethylpent-4-en-2-yn-1-amine
Also Known As: 5-Butoxy-N,N-diethyl-4-penten-2-yn-1-amine, 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-, (5-butoxypent-4-en-2-yn-1-yl)diethylamine, (E)-5-butoxy-N,N-diethylpent-4-en-2-yn-1-amine, 1-Diethylamino-5-butyloxy-penten-(4)-in-(2)
| Molecular Formula | C13H23NO |
|---|---|
| Molecular Weight | 209.18 g/mol |
| LogP | 2.662 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 209.17796 |
| Heavy Atoms | 15 |
| Complexity | 208.31119 |
Chemical Identifiers
| CAS Number | 101171-90-8 |
|---|---|
| SMILES | CCCCO/C=C/C#CCN(CC)CC |
Product Overview
4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl- (CAS 101171-90-8), with molecular formula C13H23NO and molecular weight 209.18 g/mol. IUPAC: (E)-5-butoxy-N,N-diethylpent-4-en-2-yn-1-amine.
Chemical Property Profile of 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-
Property Insights of 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-
The XLogP value of 2.662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-. With a topological polar surface area (TPSA) of 12.47 Ų, 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl- has 0 hydrogen bond donor(s) and 2 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 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-?
The CAS number of 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl- is 101171-90-8.
What is the molecular formula of 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-?
The molecular formula of 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl- is C13H23NO.
What is the molecular weight of 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-?
The molecular weight of 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl- is 209.18 g/mol.
Where can I buy 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-?
You can request a quote for 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Penten-2-yn-1-amine, 5-butoxy-N,N-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.