Methyl-4-oxo-2-pentenal
TL;DR: Methyl-4-oxo-2-pentenal (CAS 99948-49-9) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-oxopent-2-enal
Also Known As: methyl-4-oxo-2-pentenal, 2-methyl-4-oxo-2-pentenal, 2-Pentenal, 2-methyl-4-oxo-, 2-Pentenal, 2-methyl-4-oxo- (9CI), (E)-2-METHYL-4-OXO-2-PENTENAL
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 99948-49-9 |
|---|---|
| SMILES | CC(=CC(=O)C)C=O |
| InChIKey | PFLPZDBOPDYOJU-UHFFFAOYSA-N |
Product Overview
Methyl-4-oxo-2-pentenal (CAS 99948-49-9), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 2-methyl-4-oxopent-2-enal.
Chemical Property Profile of Methyl-4-oxo-2-pentenal
Property Insights of Methyl-4-oxo-2-pentenal
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-4-oxo-2-pentenal. With a topological polar surface area (TPSA) of 34.1 Ų, Methyl-4-oxo-2-pentenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-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 Methyl-4-oxo-2-pentenal?
The CAS number of Methyl-4-oxo-2-pentenal is 99948-49-9.
What is the molecular formula of Methyl-4-oxo-2-pentenal?
The molecular formula of Methyl-4-oxo-2-pentenal is C6H8O2.
What is the molecular weight of Methyl-4-oxo-2-pentenal?
The molecular weight of Methyl-4-oxo-2-pentenal is 112.05 g/mol.
Where can I buy Methyl-4-oxo-2-pentenal?
You can request a quote for Methyl-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 Methyl-4-oxo-2-pentenal?
Yes, KEHONG BIO provides custom synthesis services for Methyl-4-oxo-2-pentenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.