2-Phenylethyl 3-oxobutanoate
TL;DR: 2-Phenylethyl 3-oxobutanoate (CAS 24370-84-1) 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.
2-phenylethyl 3-oxobutanoate
Also Known As: Phenylacetessigester, Phenylethyl acetoacetate, 2-Phenylethyl 3-oxobutanoate, phenethyl 3-oxobutanoate, Acetoacetic acid phenethyl ester
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 24370-84-1 |
|---|---|
| SMILES | CC(=O)CC(=O)OCCC1=CC=CC=C1 |
| InChIKey | QOMFXOOKFCCSND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylethyl 3-oxobutanoate (CAS 24370-84-1), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 2-phenylethyl 3-oxobutanoate.
Chemical Property Profile of 2-Phenylethyl 3-oxobutanoate
Property Insights of 2-Phenylethyl 3-oxobutanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethyl 3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Phenylethyl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl 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 2-Phenylethyl 3-oxobutanoate?
The CAS number of 2-Phenylethyl 3-oxobutanoate is 24370-84-1.
What is the molecular formula of 2-Phenylethyl 3-oxobutanoate?
The molecular formula of 2-Phenylethyl 3-oxobutanoate is C12H14O3.
What is the molecular weight of 2-Phenylethyl 3-oxobutanoate?
The molecular weight of 2-Phenylethyl 3-oxobutanoate is 206.09 g/mol.
Where can I buy 2-Phenylethyl 3-oxobutanoate?
You can request a quote for 2-Phenylethyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.