Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester
TL;DR: Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester (CAS 1172-42-5) is a chemical compound with molecular formula C16H22ClNO3Si and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-cyanoethyl(dimethyl)silyl] 4-(4-chloro-2-methylphenoxy)butanoate
Also Known As: KST-1A0780, (1-cyanoethyl)(dimethyl)silyl 4-(4-chloro-2-methylphenoxy)butanoate, Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester, (1-Cyanoethyl)di(methyl)silyl 4-(4-chloro-2-methylphenoxy)butanoate, [1-cyanoethyl(dimethyl)silyl] 4-(4-chloro-2-methylphenoxy)butanoate
| Molecular Formula | C16H22ClNO3Si |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 4.4694 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 339.10574 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 1172-42-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCCCC(=O)O[Si](C)(C)C(C)C#N |
| InChIKey | UWDUCDYORMVYTK-UHFFFAOYSA-N |
Product Overview
Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester (CAS 1172-42-5), with molecular formula C16H22ClNO3Si and molecular weight 339.11 g/mol. IUPAC: [1-cyanoethyl(dimethyl)silyl] 4-(4-chloro-2-methylphenoxy)butanoate.
Chemical Property Profile of Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester
Property Insights of Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester
The XLogP value of 4.4694 indicates that Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (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, Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester has 0 hydrogen bond donor(s) and 4 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 Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
The CAS number of Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester is 1172-42-5.
What is the molecular formula of Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
The molecular formula of Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester is C16H22ClNO3Si.
What is the molecular weight of Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
The molecular weight of Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester is 339.11 g/mol.
Where can I buy Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
You can request a quote for Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (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 Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic Acid, 4-(4-chloro-2-methylphenoxy)-, (1-cyanoethyl)dimethylsilyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.