Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
TL;DR: Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester (CAS 58327-07-4) 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-(2-chlorophenoxy)acetate
Also Known As: (2-Chlorophenoxy)acetic acid 3,3,5-trimethylcyclohexyl ester, ACETIC ACID, (2-CHLOROPHENOXY)-, 3,3,5-TRIMETHYLCYCLOHEXYL ESTER, 3,3,5-trimethylcyclohexyl (2-chlorophenoxy)acetate, (3,3,5-trimethylcyclohexyl) 2-(2-chlorophenoxy)acetate, RefChem:1075566
| 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 | 356.0 |
Chemical Identifiers
| CAS Number | 58327-07-4 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)COC2=CC=CC=C2Cl |
| InChIKey | BRRZMEIQFMYAAN-UHFFFAOYSA-N |
Product Overview
Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester (CAS 58327-07-4), with molecular formula C17H23ClO3 and molecular weight 310.13 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2-(2-chlorophenoxy)acetate.
Chemical Property Profile of Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
Property Insights of Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester
The XLogP value of 5.5 indicates that Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester 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 Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The CAS number of Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is 58327-07-4.
What is the molecular formula of Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The molecular formula of Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is C17H23ClO3.
What is the molecular weight of Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
The molecular weight of Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester is 310.13 g/mol.
Where can I buy Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
You can request a quote for Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2-chlorophenoxy)-, 3,3,5-trimethylcyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.