4-Ethyloct-1-yn-3-one
TL;DR: 4-Ethyloct-1-yn-3-one (CAS 386735-89-3) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyloct-1-yn-3-one
Also Known As: 4-ethyloct-1-yn-3-one, 4-Ethyl-1-octyne-3-one, J1.676.253I
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 386735-89-3 |
|---|---|
| SMILES | CCCCC(CC)C(=O)C#C |
| InChIKey | GZCXSXLJNPNBAE-UHFFFAOYSA-N |
Product Overview
4-Ethyloct-1-yn-3-one (CAS 386735-89-3), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 4-ethyloct-1-yn-3-one.
Chemical Property Profile of 4-Ethyloct-1-yn-3-one
Property Insights of 4-Ethyloct-1-yn-3-one
The XLogP value of 3.3 indicates that 4-Ethyloct-1-yn-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Ethyloct-1-yn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyloct-1-yn-3-one has 0 hydrogen bond donor(s) and 1 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-Ethyloct-1-yn-3-one?
The CAS number of 4-Ethyloct-1-yn-3-one is 386735-89-3.
What is the molecular formula of 4-Ethyloct-1-yn-3-one?
The molecular formula of 4-Ethyloct-1-yn-3-one is C10H16O.
What is the molecular weight of 4-Ethyloct-1-yn-3-one?
The molecular weight of 4-Ethyloct-1-yn-3-one is 152.12 g/mol.
Where can I buy 4-Ethyloct-1-yn-3-one?
You can request a quote for 4-Ethyloct-1-yn-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyloct-1-yn-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyloct-1-yn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.