2-Pentyn-4-one
TL;DR: 2-Pentyn-4-one (CAS 7299-55-0) 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-3-yn-2-one
Also Known As: Pent-3-yn-2-one, 3-Pentyn-2-one, 2-Pentyn-4-one, 3-Pentyne-2-one, 2-Pentyne-4-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 | 0 |
| Exact Mass | 82.04186 |
| Heavy Atoms | 6 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 7299-55-0 |
|---|---|
| SMILES | CC#CC(=O)C |
| InChIKey | DZOOXMGZVWHNAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentyn-4-one (CAS 7299-55-0), with molecular formula C5H6O and molecular weight 82.04 g/mol. IUPAC: pent-3-yn-2-one.
Chemical Property Profile of 2-Pentyn-4-one
Property Insights of 2-Pentyn-4-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentyn-4-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Pentyn-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyn-4-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 2-Pentyn-4-one?
The CAS number of 2-Pentyn-4-one is 7299-55-0.
What is the molecular formula of 2-Pentyn-4-one?
The molecular formula of 2-Pentyn-4-one is C5H6O.
What is the molecular weight of 2-Pentyn-4-one?
The molecular weight of 2-Pentyn-4-one is 82.04 g/mol.
Where can I buy 2-Pentyn-4-one?
You can request a quote for 2-Pentyn-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentyn-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentyn-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.