Trimethylsilyl 4-phenylbutanoate
TL;DR: Trimethylsilyl 4-phenylbutanoate (CAS 21273-16-5) is a chemical compound with molecular formula C13H20O2Si and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethylsilyl 4-phenylbutanoate
Also Known As: Trimethylsilyl 4-phenylbutanoate, Benzenebutanoic acid, TMS derivative, 4-Phenylbutyric acid trimethylsilyl ester, Butyric acid, 4-phenyl-, trimethylsilyl ester, Butanoic acid, 4-phenyl, trimethylsilyl ester
| Molecular Formula | C13H20O2Si |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 3.3874 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.12326 |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 21273-16-5 |
|---|---|
| SMILES | C[Si](C)(C)OC(=O)CCCC1=CC=CC=C1 |
| InChIKey | ZYYPVAODSQWOQR-UHFFFAOYSA-N |
Product Overview
Trimethylsilyl 4-phenylbutanoate (CAS 21273-16-5), with molecular formula C13H20O2Si and molecular weight 236.12 g/mol. IUPAC: trimethylsilyl 4-phenylbutanoate.
Chemical Property Profile of Trimethylsilyl 4-phenylbutanoate
Property Insights of Trimethylsilyl 4-phenylbutanoate
The XLogP value of 3.3874 indicates that Trimethylsilyl 4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Trimethylsilyl 4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trimethylsilyl 4-phenylbutanoate 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 4-phenylbutanoate?
The CAS number of Trimethylsilyl 4-phenylbutanoate is 21273-16-5.
What is the molecular formula of Trimethylsilyl 4-phenylbutanoate?
The molecular formula of Trimethylsilyl 4-phenylbutanoate is C13H20O2Si.
What is the molecular weight of Trimethylsilyl 4-phenylbutanoate?
The molecular weight of Trimethylsilyl 4-phenylbutanoate is 236.12 g/mol.
Where can I buy Trimethylsilyl 4-phenylbutanoate?
You can request a quote for Trimethylsilyl 4-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylsilyl 4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylsilyl 4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.