4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate
TL;DR: 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate (CAS 92522-77-5) is a chemical compound with molecular formula C14H18Cl2O2 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butyl-2-chlorophenyl) 2-chloro-2-methylpropanoate
Also Known As: 4-tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate, (4-tert-butyl-2-chlorophenyl) 2-chloro-2-methylpropanoate, (4-tert-butyl-2-chlorophenyl)2-chloro-2-methylpropanoate, Propanoic acid, 2-chloro-2-methyl-,2-chloro-4-(1,1-dimethylethyl)phenyl ester
| Molecular Formula | C14H18Cl2O2 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.0684 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 92522-77-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)OC(=O)C(C)(C)Cl)Cl |
| InChIKey | LIJRLSPXDUFPHC-UHFFFAOYSA-N |
Product Overview
4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate (CAS 92522-77-5), with molecular formula C14H18Cl2O2 and molecular weight 288.07 g/mol. IUPAC: (4-tert-butyl-2-chlorophenyl) 2-chloro-2-methylpropanoate.
Chemical Property Profile of 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate
Property Insights of 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate
The XLogP value of 5.2 indicates that 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate 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 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate?
The CAS number of 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate is 92522-77-5.
What is the molecular formula of 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate?
The molecular formula of 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate is C14H18Cl2O2.
What is the molecular weight of 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate?
The molecular weight of 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate is 288.07 g/mol.
Where can I buy 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate?
You can request a quote for 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-2-chlorophenyl 2-chloro-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.