Methyl 4-trimethylsilylethynylbenzoate
TL;DR: Methyl 4-trimethylsilylethynylbenzoate (CAS 75867-41-3) is a chemical compound with molecular formula C13H16O2Si and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-trimethylsilylethynyl)benzoate
Also Known As: Methyl 4-((trimethylsilyl)ethynyl)benzoate, methyl 4-(2-trimethylsilylethynyl)benzoate, Methyl 4-(2-(trimethylsilyl)ethynyl)benzoate, methyl 4-[(trimethylsilyl)ethynyl]benzoate, methyl 4-trimethylsilylethynylbenzoate
| Molecular Formula | C13H16O2Si |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | 2.7021 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.09195 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 75867-41-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C#C[Si](C)(C)C |
| InChIKey | OMKQKBOYVRHLRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-trimethylsilylethynylbenzoate (CAS 75867-41-3), with molecular formula C13H16O2Si and molecular weight 232.09 g/mol. IUPAC: methyl 4-(2-trimethylsilylethynyl)benzoate.
Chemical Property Profile of Methyl 4-trimethylsilylethynylbenzoate
Property Insights of Methyl 4-trimethylsilylethynylbenzoate
The XLogP value of 2.7021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-trimethylsilylethynylbenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-trimethylsilylethynylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-trimethylsilylethynylbenzoate 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 Methyl 4-trimethylsilylethynylbenzoate?
The CAS number of Methyl 4-trimethylsilylethynylbenzoate is 75867-41-3.
What is the molecular formula of Methyl 4-trimethylsilylethynylbenzoate?
The molecular formula of Methyl 4-trimethylsilylethynylbenzoate is C13H16O2Si.
What is the molecular weight of Methyl 4-trimethylsilylethynylbenzoate?
The molecular weight of Methyl 4-trimethylsilylethynylbenzoate is 232.09 g/mol.
Where can I buy Methyl 4-trimethylsilylethynylbenzoate?
You can request a quote for Methyl 4-trimethylsilylethynylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-trimethylsilylethynylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-trimethylsilylethynylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.