4-Oxo-2-pentenal
TL;DR: 4-Oxo-2-pentenal (CAS 5729-47-5) is a chemical compound with molecular formula C5H6O2 and molecular weight 98.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxopent-2-enal
Also Known As: 4-oxo-2-pentenal, 4-oxopent-2-enal, 2-Pentenal, 4-oxo-, pent-2-ene-1,4-dione, RefChem:912758
| Molecular Formula | C5H6O2 |
|---|---|
| Molecular Weight | 98.04 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 98.03678 |
| Heavy Atoms | 7 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 5729-47-5 |
|---|---|
| SMILES | CC(=O)C=CC=O |
| InChIKey | GBLMMVFQENXAFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-2-pentenal (CAS 5729-47-5), with molecular formula C5H6O2 and molecular weight 98.04 g/mol. IUPAC: 4-oxopent-2-enal.
Chemical Property Profile of 4-Oxo-2-pentenal
Property Insights of 4-Oxo-2-pentenal
The XLogP value of -0.3 indicates that 4-Oxo-2-pentenal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.1 Ų, 4-Oxo-2-pentenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-2-pentenal has 0 hydrogen bond donor(s) and 2 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-Oxo-2-pentenal?
The CAS number of 4-Oxo-2-pentenal is 5729-47-5.
What is the molecular formula of 4-Oxo-2-pentenal?
The molecular formula of 4-Oxo-2-pentenal is C5H6O2.
What is the molecular weight of 4-Oxo-2-pentenal?
The molecular weight of 4-Oxo-2-pentenal is 98.04 g/mol.
Where can I buy 4-Oxo-2-pentenal?
You can request a quote for 4-Oxo-2-pentenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-2-pentenal?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-2-pentenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.