Propanoic acid, 2-methyl-3-oxo-, methyl ester
TL;DR: Propanoic acid, 2-methyl-3-oxo-, methyl ester (CAS 51673-64-4) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-3-oxopropanoate
Also Known As: methyl 2-methyl-3-oxopropanoate, Methyl 3-oxoisobutyrate, Methyl 2-Formylpropanoate, methyl3-oxoisobutyrate, methyl 2-formylpropionate
| Molecular Formula | C5H8O3 |
|---|---|
| Molecular Weight | 116.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.04734 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 51673-64-4 |
|---|---|
| SMILES | CC(C=O)C(=O)OC |
| InChIKey | HWYJZXYVLPKDLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-methyl-3-oxo-, methyl ester (CAS 51673-64-4), with molecular formula C5H8O3 and molecular weight 116.05 g/mol. IUPAC: methyl 2-methyl-3-oxopropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-3-oxo-, methyl ester
Property Insights of Propanoic acid, 2-methyl-3-oxo-, methyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-methyl-3-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Propanoic acid, 2-methyl-3-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-3-oxo-, methyl ester has 0 hydrogen bond donor(s) and 3 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 Propanoic acid, 2-methyl-3-oxo-, methyl ester?
The CAS number of Propanoic acid, 2-methyl-3-oxo-, methyl ester is 51673-64-4.
What is the molecular formula of Propanoic acid, 2-methyl-3-oxo-, methyl ester?
The molecular formula of Propanoic acid, 2-methyl-3-oxo-, methyl ester is C5H8O3.
What is the molecular weight of Propanoic acid, 2-methyl-3-oxo-, methyl ester?
The molecular weight of Propanoic acid, 2-methyl-3-oxo-, methyl ester is 116.05 g/mol.
Where can I buy Propanoic acid, 2-methyl-3-oxo-, methyl ester?
You can request a quote for Propanoic acid, 2-methyl-3-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-3-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-3-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.