Trimethylsilyl benzoate
TL;DR: Trimethylsilyl benzoate (CAS 2078-12-8) is a chemical compound with molecular formula C10H14O2Si and molecular weight 194.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethylsilyl benzoate
Also Known As: Trimethylsilyl benzoate, Benzoic acid, TMS, trimethylsilylbenzoate, Benzoyloxytrimethylsilane, Trimethylbenzoxysilane
| Molecular Formula | C10H14O2Si |
|---|---|
| Molecular Weight | 194.08 g/mol |
| LogP | 2.68 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.07631 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 2078-12-8 |
|---|---|
| SMILES | C[Si](C)(C)OC(=O)C1=CC=CC=C1 |
| InChIKey | VFFKJOXNCSJSAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethylsilyl benzoate (CAS 2078-12-8), with molecular formula C10H14O2Si and molecular weight 194.08 g/mol. IUPAC: trimethylsilyl benzoate.
Chemical Property Profile of Trimethylsilyl benzoate
Property Insights of Trimethylsilyl benzoate
The XLogP value of 2.68 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trimethylsilyl benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Trimethylsilyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylsilyl benzoate has 0 hydrogen bond donor(s) and 2 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 Trimethylsilyl benzoate?
The CAS number of Trimethylsilyl benzoate is 2078-12-8.
What is the molecular formula of Trimethylsilyl benzoate?
The molecular formula of Trimethylsilyl benzoate is C10H14O2Si.
What is the molecular weight of Trimethylsilyl benzoate?
The molecular weight of Trimethylsilyl benzoate is 194.08 g/mol.
Where can I buy Trimethylsilyl benzoate?
You can request a quote for Trimethylsilyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylsilyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylsilyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.