11-Hexadecynyl acetate
TL;DR: 11-Hexadecynyl acetate (CAS 53596-80-8) is a chemical compound with molecular formula C18H32O2 and molecular weight 280.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadec-11-ynyl acetate
Also Known As: Hexadec-11-ynyl Acetate, 11-HEXADECYNYL ACETATE, 11-HEXADECYNYLACETATE, hexadec-11-yn-1-yl acetate, 11-Hexadecyn-1-yl acetate
| Molecular Formula | C18H32O2 |
|---|---|
| Molecular Weight | 280.24 g/mol |
| LogP | 5.254 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 280.24023 |
| Heavy Atoms | 20 |
| Complexity | 272.87814 |
Chemical Identifiers
| CAS Number | 53596-80-8 |
|---|---|
| SMILES | CCCCC#CCCCCCCCCCCOC(=O)C |
Product Overview
11-Hexadecynyl acetate (CAS 53596-80-8), with molecular formula C18H32O2 and molecular weight 280.24 g/mol. IUPAC: hexadec-11-ynyl acetate.
Chemical Property Profile of 11-Hexadecynyl acetate
Property Insights of 11-Hexadecynyl acetate
The XLogP value of 5.254 indicates that 11-Hexadecynyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 11-Hexadecynyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11-Hexadecynyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-Hexadecynyl acetate?
The CAS number of 11-Hexadecynyl acetate is 53596-80-8.
What is the molecular formula of 11-Hexadecynyl acetate?
The molecular formula of 11-Hexadecynyl acetate is C18H32O2.
What is the molecular weight of 11-Hexadecynyl acetate?
The molecular weight of 11-Hexadecynyl acetate is 280.24 g/mol.
Where can I buy 11-Hexadecynyl acetate?
You can request a quote for 11-Hexadecynyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Hexadecynyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 11-Hexadecynyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.