3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate
TL;DR: 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate (CAS 17564-84-0) is a chemical compound with molecular formula C17H23ClO3 and molecular weight 310.13 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)acetate
Also Known As: (4-Chlorophenoxy)acetic acid 3,3,5-trimethylcyclohexyl ester, 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate, (3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)acetate, (3,3,5-Trimethylcyclohexyl)2-(4-chlorophenoxy)acetate, ACETIC ACID, (4-CHLOROPHENOXY)-, 3,3,5-TRIMETHYLCYCLOHEXYL ESTER
| Molecular Formula | C17H23ClO3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.13358 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 17564-84-0 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)COC2=CC=C(C=C2)Cl |
| InChIKey | NTTYCVOEHUDYOK-UHFFFAOYSA-N |
Product Overview
3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate (CAS 17564-84-0), with molecular formula C17H23ClO3 and molecular weight 310.13 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate
Property Insights of 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate
The XLogP value of 5.5 indicates that 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate 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 (4-chlorophenoxy)acetate?
The CAS number of 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate is 17564-84-0.
What is the molecular formula of 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate?
The molecular formula of 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate is C17H23ClO3.
What is the molecular weight of 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate?
The molecular weight of 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate is 310.13 g/mol.
Where can I buy 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate?
You can request a quote for 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate 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 (4-chlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethylcyclohexyl (4-chlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.