Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester
TL;DR: Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester (CAS 85905-80-2) is a chemical compound with molecular formula C21H36O3Si and molecular weight 364.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[dibutyl(ethyl)silyl]oxy-2-(2-methylphenyl)acetate
Also Known As: 2-(Dibutylethylsiloxy)-2-(o-tolyl)acetic acid ethyl ester, ACETIC ACID, 2-(DIBUTYLETHYLSILOXY)-2-(o-TOLYL)-, ETHYL ESTER, Benzeneacetic acid, alpha-((dibutylethylsilyl)oxy)-2-methyl-, ethyl ester, Ethyl {[dibutyl(ethyl)silyl]oxy}(2-methylphenyl)acetate, ethyl 2-[dibutyl(ethyl)silyl]oxy-2-(2-methylphenyl)acetate
| Molecular Formula | C21H36O3Si |
|---|---|
| Molecular Weight | 364.24 g/mol |
| LogP | 6.18 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 364.24338 |
| Heavy Atoms | 25 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 85905-80-2 |
|---|---|
| SMILES | CCCC[Si](CC)(CCCC)OC(C1=CC=CC=C1C)C(=O)OCC |
| InChIKey | KMKFNRMEUBWORA-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester (CAS 85905-80-2), with molecular formula C21H36O3Si and molecular weight 364.24 g/mol. IUPAC: ethyl 2-[dibutyl(ethyl)silyl]oxy-2-(2-methylphenyl)acetate.
Chemical Property Profile of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester
Property Insights of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester
The XLogP value of 6.18 indicates that Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester?
The CAS number of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester is 85905-80-2.
What is the molecular formula of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester?
The molecular formula of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester is C21H36O3Si.
What is the molecular weight of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester?
The molecular weight of Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester is 364.24 g/mol.
Where can I buy Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester?
You can request a quote for Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(dibutylethylsiloxy)-2-(o-tolyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.