ethyl(3,3,5-trimethylcyclohexyl)acetate
TL;DR: ethyl(3,3,5-trimethylcyclohexyl)acetate (CAS 33310-54-2) is a chemical compound with molecular formula C42H55N3 and molecular weight 601.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentyl]-2-(2-pyrrolidin-1-ylethyl)pentan-1-imine
Also Known As: ethyl(3,3,5-trimethylcyclohexyl)acetate, 1,1'-(delta,delta'-Nitriloditetramethylene)bis(gamma-(1-naphthyl)-gamma-propylpyrrolidine), 2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentyl]-2-(2-pyrrolidin-1-ylethyl)pentan-1-imine, Pyrrolidine, 1,1'-(delta,delta'-nitriloditetramethylene)bis(gamma-(1-naphthyl)-gamma-propyl-, 2-(naphthalen-1-yl)-n-{(1e)-2-(naphthalen-1-yl)-2-[2-(pyrrolidin-1-yl)ethyl]pentylidene}-2-[2-(pyrrolidin-1-yl)ethyl]pentan-1-amine
| Molecular Formula | C42H55N3 |
|---|---|
| Molecular Weight | 601.44 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 601.4396 |
| Heavy Atoms | 45 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 33310-54-2 |
|---|---|
| SMILES | CCCC(CCN1CCCC1)(CN=CC(CCC)(CCN2CCCC2)C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65 |
| InChIKey | ONNYBXRXLHZYQS-UHFFFAOYSA-N |
Product Overview
ethyl(3,3,5-trimethylcyclohexyl)acetate (CAS 33310-54-2), with molecular formula C42H55N3 and molecular weight 601.44 g/mol. IUPAC: 2-naphthalen-1-yl-N-[2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentyl]-2-(2-pyrrolidin-1-ylethyl)pentan-1-imine.
Chemical Property Profile of ethyl(3,3,5-trimethylcyclohexyl)acetate
Property Insights of ethyl(3,3,5-trimethylcyclohexyl)acetate
The XLogP value of 10.2 indicates that ethyl(3,3,5-trimethylcyclohexyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.8 Ų, ethyl(3,3,5-trimethylcyclohexyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl(3,3,5-trimethylcyclohexyl)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 ethyl(3,3,5-trimethylcyclohexyl)acetate?
The CAS number of ethyl(3,3,5-trimethylcyclohexyl)acetate is 33310-54-2.
What is the molecular formula of ethyl(3,3,5-trimethylcyclohexyl)acetate?
The molecular formula of ethyl(3,3,5-trimethylcyclohexyl)acetate is C42H55N3.
What is the molecular weight of ethyl(3,3,5-trimethylcyclohexyl)acetate?
The molecular weight of ethyl(3,3,5-trimethylcyclohexyl)acetate is 601.44 g/mol.
Where can I buy ethyl(3,3,5-trimethylcyclohexyl)acetate?
You can request a quote for ethyl(3,3,5-trimethylcyclohexyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl(3,3,5-trimethylcyclohexyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl(3,3,5-trimethylcyclohexyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.