3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate
TL;DR: 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate (CAS 58327-22-3) is a chemical compound with molecular formula C20H29ClO3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)-2-methylbutanoate
Also Known As: 2-(4-Chlorophenoxy)-2-methylbutanoic acid 3,3,5-trimethylcyclohexyl ester, 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate, Butanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,3,5-trimethylcyclohexyl ester, (3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)-2-methylbutanoate, RefChem:1065579
| Molecular Formula | C20H29ClO3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 5.6455 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.1805 |
| Heavy Atoms | 24 |
| Complexity | 566.75165 |
Chemical Identifiers
| CAS Number | 58327-22-3 |
|---|---|
| SMILES | CCC(C)(C(=O)OC1CC(CC(C1)(C)C)C)OC2=CC=C(C=C2)Cl |
Product Overview
3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate (CAS 58327-22-3), with molecular formula C20H29ClO3 and molecular weight 352.18 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)-2-methylbutanoate.
Chemical Property Profile of 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate
Property Insights of 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate
The XLogP value of 5.6455 indicates that 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate 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 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate?
The CAS number of 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate is 58327-22-3.
What is the molecular formula of 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate?
The molecular formula of 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate is C20H29ClO3.
What is the molecular weight of 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate?
The molecular weight of 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate is 352.18 g/mol.
Where can I buy 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate?
You can request a quote for 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethylcyclohexyl 2-(4-chlorophenoxy)-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.