But-3-yn-1-yl acetate
TL;DR: But-3-yn-1-yl acetate (CAS 56703-55-0) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ynyl acetate
Also Known As: But-3-ynyl Acetate, But-3-yn-1-yl acetate, 3-Butynyl-1-acetate, 3-butynyl acetate, 1-acetoxybut-3-yne
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.5728 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 110.187164 |
Chemical Identifiers
| CAS Number | 56703-55-0 |
|---|---|
| SMILES | CC(=O)OCCC#C |
Product Overview
But-3-yn-1-yl acetate (CAS 56703-55-0), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: but-3-ynyl acetate.
Chemical Property Profile of But-3-yn-1-yl acetate
Property Insights of But-3-yn-1-yl acetate
The XLogP value of 0.5728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-3-yn-1-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, But-3-yn-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, But-3-yn-1-yl acetate 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 But-3-yn-1-yl acetate?
The CAS number of But-3-yn-1-yl acetate is 56703-55-0.
What is the molecular formula of But-3-yn-1-yl acetate?
The molecular formula of But-3-yn-1-yl acetate is C6H8O2.
What is the molecular weight of But-3-yn-1-yl acetate?
The molecular weight of But-3-yn-1-yl acetate is 112.05 g/mol.
Where can I buy But-3-yn-1-yl acetate?
You can request a quote for But-3-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 But-3-yn-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for But-3-yn-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.