Pent-1-yn-3-one
TL;DR: Pent-1-yn-3-one (CAS 16469-62-8) is a chemical compound with molecular formula C5H6O and molecular weight 82.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-1-yn-3-one
Also Known As: Pent-1-yn-3-one, 1-Pentyn-3-one, ethyl ethynyl ketone, 1-Pentyne-3-one, 1-Pentyn-3-one #
| Molecular Formula | C5H6O |
|---|---|
| Molecular Weight | 82.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 82.04186 |
| Heavy Atoms | 6 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 16469-62-8 |
|---|---|
| SMILES | CCC(=O)C#C |
| InChIKey | GBCOTHPVQOTZKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pent-1-yn-3-one (CAS 16469-62-8), with molecular formula C5H6O and molecular weight 82.04 g/mol. IUPAC: pent-1-yn-3-one.
Chemical Property Profile of Pent-1-yn-3-one
Property Insights of Pent-1-yn-3-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pent-1-yn-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, Pent-1-yn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pent-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 Pent-1-yn-3-one?
The CAS number of Pent-1-yn-3-one is 16469-62-8.
What is the molecular formula of Pent-1-yn-3-one?
The molecular formula of Pent-1-yn-3-one is C5H6O.
What is the molecular weight of Pent-1-yn-3-one?
The molecular weight of Pent-1-yn-3-one is 82.04 g/mol.
Where can I buy Pent-1-yn-3-one?
You can request a quote for Pent-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 Pent-1-yn-3-one?
Yes, KEHONG BIO provides custom synthesis services for Pent-1-yn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.