Hex-1-yn-3-yl acetate
TL;DR: Hex-1-yn-3-yl acetate (CAS 69555-87-9) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-1-yn-3-yl acetate
Also Known As: hex-1-yn-3-yl acetate, 3-Acetoxyhexin, 3-Acetoxy-1-hexyne, DL-3-Acetoxy-1-hexin, J2.179.265I
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 69555-87-9 |
|---|---|
| SMILES | CCCC(C#C)OC(=O)C |
| InChIKey | HCRMZISIVJPGSJ-UHFFFAOYSA-N |
Product Overview
Hex-1-yn-3-yl acetate (CAS 69555-87-9), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: hex-1-yn-3-yl acetate.
Chemical Property Profile of Hex-1-yn-3-yl acetate
Property Insights of Hex-1-yn-3-yl acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-1-yn-3-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Hex-1-yn-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-1-yn-3-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 Hex-1-yn-3-yl acetate?
The CAS number of Hex-1-yn-3-yl acetate is 69555-87-9.
What is the molecular formula of Hex-1-yn-3-yl acetate?
The molecular formula of Hex-1-yn-3-yl acetate is C8H12O2.
What is the molecular weight of Hex-1-yn-3-yl acetate?
The molecular weight of Hex-1-yn-3-yl acetate is 140.08 g/mol.
Where can I buy Hex-1-yn-3-yl acetate?
You can request a quote for Hex-1-yn-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-1-yn-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for Hex-1-yn-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.