4-Oxopentanal
TL;DR: 4-Oxopentanal (CAS 67679-55-4) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxopentanal
Also Known As: 4-Oxopentanal, Levulinaldehyde, Pentanal, 4-oxo-, Lavulinaldehyd, 4-oxo-pentanal
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 67679-55-4 |
|---|---|
| SMILES | CC(=O)CCC=O |
| InChIKey | KEHNRUNQZGRQHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxopentanal (CAS 67679-55-4), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: 4-oxopentanal.
Chemical Property Profile of 4-Oxopentanal
Property Insights of 4-Oxopentanal
The XLogP value of -0.7 indicates that 4-Oxopentanal 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-Oxopentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxopentanal 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-Oxopentanal?
The CAS number of 4-Oxopentanal is 67679-55-4.
What is the molecular formula of 4-Oxopentanal?
The molecular formula of 4-Oxopentanal is C5H8O2.
What is the molecular weight of 4-Oxopentanal?
The molecular weight of 4-Oxopentanal is 100.05 g/mol.
Where can I buy 4-Oxopentanal?
You can request a quote for 4-Oxopentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxopentanal?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxopentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.