Propionic acid, 2-benzoyl-, ethyl ester
TL;DR: Propionic acid, 2-benzoyl-, ethyl ester (CAS 10488-87-6) 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.
ethyl 2-methyl-3-oxo-3-phenylpropanoate
Also Known As: ethyl 2-methyl-3-oxo-3-phenylpropanoate, ethyl 2-benzoylpropionate, NCIOpen2_002998, NCIOpen2_007091, 2-methyl-3-oxo-3-phenyl-propionic acid ethyl ester
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.6 |
| 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 | 10488-87-6 |
|---|---|
| SMILES | CCOC(=O)C(C)C(=O)C1=CC=CC=C1 |
| InChIKey | RAWGHPXIJSCHFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propionic acid, 2-benzoyl-, ethyl ester (CAS 10488-87-6), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: ethyl 2-methyl-3-oxo-3-phenylpropanoate.
Chemical Property Profile of Propionic acid, 2-benzoyl-, ethyl ester
Property Insights of Propionic acid, 2-benzoyl-, ethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 2-benzoyl-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Propionic acid, 2-benzoyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 2-benzoyl-, ethyl 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 Propionic acid, 2-benzoyl-, ethyl ester?
The CAS number of Propionic acid, 2-benzoyl-, ethyl ester is 10488-87-6.
What is the molecular formula of Propionic acid, 2-benzoyl-, ethyl ester?
The molecular formula of Propionic acid, 2-benzoyl-, ethyl ester is C12H14O3.
What is the molecular weight of Propionic acid, 2-benzoyl-, ethyl ester?
The molecular weight of Propionic acid, 2-benzoyl-, ethyl ester is 206.09 g/mol.
Where can I buy Propionic acid, 2-benzoyl-, ethyl ester?
You can request a quote for Propionic acid, 2-benzoyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 2-benzoyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 2-benzoyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.