2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride
TL;DR: 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride (CAS 5342-97-2) is a chemical compound with molecular formula C20H31ClO2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride
Also Known As: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride, Butanoyl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-, 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride, 2-(2,4-di-t-amylphenoxy)butanoyl chloride
| Molecular Formula | C20H31ClO2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.20126 |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 5342-97-2 |
|---|---|
| SMILES | CCC(C(=O)Cl)OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC |
| InChIKey | WHZZJRDDIPKYMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride (CAS 5342-97-2), with molecular formula C20H31ClO2 and molecular weight 338.20 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoyl chloride.
Chemical Property Profile of 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride
Property Insights of 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride
The XLogP value of 7.8 indicates that 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride?
The CAS number of 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride is 5342-97-2.
What is the molecular formula of 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride?
The molecular formula of 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride is C20H31ClO2.
What is the molecular weight of 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride?
The molecular weight of 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride is 338.20 g/mol.
Where can I buy 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride?
You can request a quote for 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.