4-(Diethylamino)but-2-yn-1-yl acetate
TL;DR: 4-(Diethylamino)but-2-yn-1-yl acetate (CAS 22396-77-6) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)but-2-ynyl acetate
Also Known As: 1-Acetoxy-4-diethylamino-2-butyne, 4-(Diethylamino)but-2-yn-1-yl acetate, 4-(diethylamino)but-2-ynyl acetate, 4-diethylaminobut-2-ynyl Acetate, 4-Diethylamino-but-2-yn-1-yl acetate
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 0.8947 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 198.70563 |
Chemical Identifiers
| CAS Number | 22396-77-6 |
|---|---|
| SMILES | CCN(CC)CC#CCOC(=O)C |
Product Overview
4-(Diethylamino)but-2-yn-1-yl acetate (CAS 22396-77-6), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: 4-(diethylamino)but-2-ynyl acetate.
Chemical Property Profile of 4-(Diethylamino)but-2-yn-1-yl acetate
Property Insights of 4-(Diethylamino)but-2-yn-1-yl acetate
The XLogP value of 0.8947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethylamino)but-2-yn-1-yl acetate. With a topological polar surface area (TPSA) of 29.54 Ų, 4-(Diethylamino)but-2-yn-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Diethylamino)but-2-yn-1-yl acetate has 0 hydrogen bond donor(s) and 3 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-(Diethylamino)but-2-yn-1-yl acetate?
The CAS number of 4-(Diethylamino)but-2-yn-1-yl acetate is 22396-77-6.
What is the molecular formula of 4-(Diethylamino)but-2-yn-1-yl acetate?
The molecular formula of 4-(Diethylamino)but-2-yn-1-yl acetate is C10H17NO2.
What is the molecular weight of 4-(Diethylamino)but-2-yn-1-yl acetate?
The molecular weight of 4-(Diethylamino)but-2-yn-1-yl acetate is 183.13 g/mol.
Where can I buy 4-(Diethylamino)but-2-yn-1-yl acetate?
You can request a quote for 4-(Diethylamino)but-2-yn-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diethylamino)but-2-yn-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)but-2-yn-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.