2-Butynyl acetate
TL;DR: 2-Butynyl acetate (CAS 34485-37-5) 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-2-ynyl acetate
Also Known As: 2-BUTYNYL ACETATE, but-2-yn-1-yl acetate, but-2-ynyl acetate, 1-Acetoxy-2-butyne, 2-BUTYNYLACETATE
| 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 | 1 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 127.1993 |
Chemical Identifiers
| CAS Number | 34485-37-5 |
|---|---|
| SMILES | CC#CCOC(=O)C |
Product Overview
2-Butynyl acetate (CAS 34485-37-5), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: but-2-ynyl acetate.
Chemical Property Profile of 2-Butynyl acetate
Property Insights of 2-Butynyl acetate
The XLogP value of 0.5728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butynyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butynyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butynyl 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 2-Butynyl acetate?
The CAS number of 2-Butynyl acetate is 34485-37-5.
What is the molecular formula of 2-Butynyl acetate?
The molecular formula of 2-Butynyl acetate is C6H8O2.
What is the molecular weight of 2-Butynyl acetate?
The molecular weight of 2-Butynyl acetate is 112.05 g/mol.
Where can I buy 2-Butynyl acetate?
You can request a quote for 2-Butynyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butynyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butynyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.