Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester
TL;DR: Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester (CAS 117233-46-2) is a chemical compound with molecular formula C14H16Cl3NO3Si and molecular weight 379.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-cyanoethyl(dimethyl)silyl] 2-(3,4,5-trichlorophenoxy)propanoate
Also Known As: KST-1A0778, (1-cyanoethyl)(dimethyl)silyl 2-(3,4,5-trichlorophenoxy)propanoate, Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester, (1-Cyanoethyl)di(methyl)silyl 2-(3,4,5-trichlorophenoxy)propanoate, [1-cyanoethyl(dimethyl)silyl] 2-(3,4,5-trichlorophenoxy)propanoate
| Molecular Formula | C14H16Cl3NO3Si |
|---|---|
| Molecular Weight | 379.00 g/mol |
| LogP | 5.07608 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.9965 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 117233-46-2 |
|---|---|
| SMILES | CC(C#N)[Si](C)(C)OC(=O)C(C)OC1=CC(=C(C(=C1)Cl)Cl)Cl |
| InChIKey | KIEIPNBRSRIPMH-UHFFFAOYSA-N |
Product Overview
Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester (CAS 117233-46-2), with molecular formula C14H16Cl3NO3Si and molecular weight 379.00 g/mol. IUPAC: [1-cyanoethyl(dimethyl)silyl] 2-(3,4,5-trichlorophenoxy)propanoate.
Chemical Property Profile of Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester
Property Insights of Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester
The XLogP value of 5.07608 indicates that Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
The CAS number of Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester is 117233-46-2.
What is the molecular formula of Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
The molecular formula of Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester is C14H16Cl3NO3Si.
What is the molecular weight of Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
The molecular weight of Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester is 379.00 g/mol.
Where can I buy Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
You can request a quote for Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic Acid, 2-(3,4,5-trichlorophenoxy)-, (1-cyanoethyl)dimethylsilyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.