1-Undecyn-3-one
TL;DR: 1-Undecyn-3-one (CAS 76291-85-5) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
undec-1-yn-3-one
Also Known As: 1-Undecyn-3-one, Undec-1-yn-3-one, 1-Undecyne-3-one, J1.479.955I, RefChem:235563
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.9393 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 152.87727 |
Chemical Identifiers
| CAS Number | 76291-85-5 |
|---|---|
| SMILES | CCCCCCCCC(=O)C#C |
Product Overview
1-Undecyn-3-one (CAS 76291-85-5), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: undec-1-yn-3-one.
Chemical Property Profile of 1-Undecyn-3-one
Property Insights of 1-Undecyn-3-one
The XLogP value of 2.9393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Undecyn-3-one. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Undecyn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Undecyn-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 1-Undecyn-3-one?
The CAS number of 1-Undecyn-3-one is 76291-85-5.
What is the molecular formula of 1-Undecyn-3-one?
The molecular formula of 1-Undecyn-3-one is C11H18O.
What is the molecular weight of 1-Undecyn-3-one?
The molecular weight of 1-Undecyn-3-one is 166.14 g/mol.
Where can I buy 1-Undecyn-3-one?
You can request a quote for 1-Undecyn-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Undecyn-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Undecyn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.