Benzyl 2-methyl-3-oxobutanoate
TL;DR: Benzyl 2-methyl-3-oxobutanoate (CAS 37526-93-5) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-methyl-3-oxobutanoate
Also Known As: Benzyl 2-methyl-3-oxobutanoate, Benzyl 2-methylacetoacetate, 2-Methylacetoacetic acid benzyl ester, BENZYL-2-METHYL-3-OXOBUTANOATE, 2-Methyl-3-oxobutyric acid benzyl ester
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 37526-93-5 |
|---|---|
| SMILES | CC(C(=O)C)C(=O)OCC1=CC=CC=C1 |
| InChIKey | OKNHVWOSKITDKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-methyl-3-oxobutanoate (CAS 37526-93-5), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: benzyl 2-methyl-3-oxobutanoate.
Chemical Property Profile of Benzyl 2-methyl-3-oxobutanoate
Property Insights of Benzyl 2-methyl-3-oxobutanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-methyl-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Benzyl 2-methyl-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-methyl-3-oxobutanoate 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 Benzyl 2-methyl-3-oxobutanoate?
The CAS number of Benzyl 2-methyl-3-oxobutanoate is 37526-93-5.
What is the molecular formula of Benzyl 2-methyl-3-oxobutanoate?
The molecular formula of Benzyl 2-methyl-3-oxobutanoate is C12H14O3.
What is the molecular weight of Benzyl 2-methyl-3-oxobutanoate?
The molecular weight of Benzyl 2-methyl-3-oxobutanoate is 206.09 g/mol.
Where can I buy Benzyl 2-methyl-3-oxobutanoate?
You can request a quote for Benzyl 2-methyl-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-methyl-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-methyl-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.