Butanoic acid, 2-ethyl-3-oxo-, methyl ester
TL;DR: Butanoic acid, 2-ethyl-3-oxo-, methyl ester (CAS 51756-08-2) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-ethyl-3-oxobutanoate
Also Known As: Methyl 2-ethylacetoacetate, Methyl 2-ethyl-3-oxobutanoate, methyl acetylbutyrate, methyl-2-ethylacetoacetate, methyl 2-acetylbutyrate
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 51756-08-2 |
|---|---|
| SMILES | CCC(C(=O)C)C(=O)OC |
| InChIKey | YXLVLOWNJCOOAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 2-ethyl-3-oxo-, methyl ester (CAS 51756-08-2), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: methyl 2-ethyl-3-oxobutanoate.
Chemical Property Profile of Butanoic acid, 2-ethyl-3-oxo-, methyl ester
Property Insights of Butanoic acid, 2-ethyl-3-oxo-, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-ethyl-3-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Butanoic acid, 2-ethyl-3-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-ethyl-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 Butanoic acid, 2-ethyl-3-oxo-, methyl ester?
The CAS number of Butanoic acid, 2-ethyl-3-oxo-, methyl ester is 51756-08-2.
What is the molecular formula of Butanoic acid, 2-ethyl-3-oxo-, methyl ester?
The molecular formula of Butanoic acid, 2-ethyl-3-oxo-, methyl ester is C7H12O3.
What is the molecular weight of Butanoic acid, 2-ethyl-3-oxo-, methyl ester?
The molecular weight of Butanoic acid, 2-ethyl-3-oxo-, methyl ester is 144.08 g/mol.
Where can I buy Butanoic acid, 2-ethyl-3-oxo-, methyl ester?
You can request a quote for Butanoic acid, 2-ethyl-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 Butanoic acid, 2-ethyl-3-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-ethyl-3-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.