3-Methyl-4-oxo-2-pentenoic acid
TL;DR: 3-Methyl-4-oxo-2-pentenoic acid (CAS 53663-10-8) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-methyl-4-oxopent-2-enoic acid
Also Known As: 3-methyl-4-oxopent-2-enoic acid, 3-Methyl-4-oxo-2-pentenoic acid, 3-methyl-4-oxo-octanoic acid, 3-methyl-4-oxo-pent-2-enoic acid, (E)-3-Methyl-4-oxo-2-pentenoic Acid
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.6063 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 167.14178 |
Chemical Identifiers
| CAS Number | 53663-10-8 |
|---|---|
| SMILES | C/C(=C\C(=O)O)/C(=O)C |
Product Overview
3-Methyl-4-oxo-2-pentenoic acid (CAS 53663-10-8), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: (E)-3-methyl-4-oxopent-2-enoic acid.
Chemical Property Profile of 3-Methyl-4-oxo-2-pentenoic acid
Property Insights of 3-Methyl-4-oxo-2-pentenoic acid
The XLogP value of 0.6063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-oxo-2-pentenoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Methyl-4-oxo-2-pentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-oxo-2-pentenoic acid has 1 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 3-Methyl-4-oxo-2-pentenoic acid?
The CAS number of 3-Methyl-4-oxo-2-pentenoic acid is 53663-10-8.
What is the molecular formula of 3-Methyl-4-oxo-2-pentenoic acid?
The molecular formula of 3-Methyl-4-oxo-2-pentenoic acid is C6H8O3.
What is the molecular weight of 3-Methyl-4-oxo-2-pentenoic acid?
The molecular weight of 3-Methyl-4-oxo-2-pentenoic acid is 128.05 g/mol.
Where can I buy 3-Methyl-4-oxo-2-pentenoic acid?
You can request a quote for 3-Methyl-4-oxo-2-pentenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-oxo-2-pentenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-oxo-2-pentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.