4-Penten-2-one
TL;DR: 4-Penten-2-one (CAS 13891-87-7) is a chemical compound with molecular formula C5H8O and molecular weight 84.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-4-en-2-one
Also Known As: 4-Penten-2-one, pent-4-en-2-one, Allyl methyl ketone, Vinyl acetone, vinylacetone
| Molecular Formula | C5H8O |
|---|---|
| Molecular Weight | 84.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 84.05752 |
| Heavy Atoms | 6 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 13891-87-7 |
|---|---|
| SMILES | CC(=O)CC=C |
| InChIKey | PNJWIWWMYCMZRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Penten-2-one (CAS 13891-87-7), with molecular formula C5H8O and molecular weight 84.06 g/mol. IUPAC: pent-4-en-2-one.
Chemical Property Profile of 4-Penten-2-one
Property Insights of 4-Penten-2-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Penten-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Penten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Penten-2-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-Penten-2-one?
The CAS number of 4-Penten-2-one is 13891-87-7.
What is the molecular formula of 4-Penten-2-one?
The molecular formula of 4-Penten-2-one is C5H8O.
What is the molecular weight of 4-Penten-2-one?
The molecular weight of 4-Penten-2-one is 84.06 g/mol.
Where can I buy 4-Penten-2-one?
You can request a quote for 4-Penten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Penten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Penten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.