3,3,5-Trimethylcyclohexyl chloroacetate
TL;DR: 3,3,5-Trimethylcyclohexyl chloroacetate (CAS 34086-66-3) is a chemical compound with molecular formula C11H19ClO2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,5-trimethylcyclohexyl) 2-chloroacetate
Also Known As: NCIOpen2_004565, 3,3,5-trimethylcyclohexyl chloroacetate, (3,3,5-trimethylcyclohexyl) 2-chloroacetate, 3,3,5-TRIMETHYLCYCLOHEXYL 2-CHLOROACETATE, Acetic acid, 2-chloro-,3,3,5-trimethylcyclohexyl ester
| Molecular Formula | C11H19ClO2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10736 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 34086-66-3 |
|---|---|
| SMILES | CC1CC(CC(C1)(C)C)OC(=O)CCl |
| InChIKey | DRHNFPBZFRIGQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,5-Trimethylcyclohexyl chloroacetate (CAS 34086-66-3), with molecular formula C11H19ClO2 and molecular weight 218.11 g/mol. IUPAC: (3,3,5-trimethylcyclohexyl) 2-chloroacetate.
Chemical Property Profile of 3,3,5-Trimethylcyclohexyl chloroacetate
Property Insights of 3,3,5-Trimethylcyclohexyl chloroacetate
The XLogP value of 3.8 indicates that 3,3,5-Trimethylcyclohexyl chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,3,5-Trimethylcyclohexyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-Trimethylcyclohexyl chloroacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,5-Trimethylcyclohexyl chloroacetate?
The CAS number of 3,3,5-Trimethylcyclohexyl chloroacetate is 34086-66-3.
What is the molecular formula of 3,3,5-Trimethylcyclohexyl chloroacetate?
The molecular formula of 3,3,5-Trimethylcyclohexyl chloroacetate is C11H19ClO2.
What is the molecular weight of 3,3,5-Trimethylcyclohexyl chloroacetate?
The molecular weight of 3,3,5-Trimethylcyclohexyl chloroacetate is 218.11 g/mol.
Where can I buy 3,3,5-Trimethylcyclohexyl chloroacetate?
You can request a quote for 3,3,5-Trimethylcyclohexyl chloroacetate 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 chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-Trimethylcyclohexyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.