![2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate structure](/static/products/1016/1016-20-2.webp)
2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate
TL;DR: 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate (CAS 1016-20-2) is a chemical compound with molecular formula C21H28Cl2O3 and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl 4-(2,4-dichlorophenoxy)butanoate
Also Known As: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate, 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate, 2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethyl 4-(2,4-dichlorophenoxy)butanoate
| Molecular Formula | C21H28Cl2O3 |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.14154 |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 1016-20-2 |
|---|---|
| SMILES | CC1(C2CCC(C1C2)CCOC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)C |
| InChIKey | MUCARWQEXPVYCF-UHFFFAOYSA-N |
Product Overview
2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate (CAS 1016-20-2), with molecular formula C21H28Cl2O3 and molecular weight 398.14 g/mol. IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl 4-(2,4-dichlorophenoxy)butanoate.
Chemical Property Profile of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate
Property Insights of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate
The XLogP value of 6.8 indicates that 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate 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 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate?
The CAS number of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate is 1016-20-2.
What is the molecular formula of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate?
The molecular formula of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate is C21H28Cl2O3.
What is the molecular weight of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate?
The molecular weight of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate is 398.14 g/mol.
Where can I buy 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate?
You can request a quote for 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 4-(2,4-dichlorophenoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.