Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester
TL;DR: Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester (CAS 55517-36-7) is a chemical compound with molecular formula C11H14O3Si and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethylsilyl 2-oxo-2-phenylacetate
Also Known As: Benzoylformic acid TMS, Benzoylformic acid, mono-TMS, Trimethylsilyl oxo(phenyl)acetate, Phenylglyoxylic acid, TMS derivative, trimethylsilyl 2-oxo-2-phenylacetate
| Molecular Formula | C11H14O3Si |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 2.2474 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.07123 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 55517-36-7 |
|---|---|
| SMILES | C[Si](C)(C)OC(=O)C(=O)C1=CC=CC=C1 |
| InChIKey | IZVHGWPJDQCENH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester (CAS 55517-36-7), with molecular formula C11H14O3Si and molecular weight 222.07 g/mol. IUPAC: trimethylsilyl 2-oxo-2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester
Property Insights of Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester
The XLogP value of 2.2474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-oxo-, trimethylsilyl 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 Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester?
The CAS number of Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester is 55517-36-7.
What is the molecular formula of Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester?
The molecular formula of Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester is C11H14O3Si.
What is the molecular weight of Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester?
The molecular weight of Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester is 222.07 g/mol.
Where can I buy Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester?
You can request a quote for Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-oxo-, trimethylsilyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.