![2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate structure](/static/products/6954/6954-43-4.webp)
2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate
TL;DR: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate (CAS 6954-43-4) is a chemical compound with molecular formula C20H27ClO3 and molecular weight 350.16 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 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate, 2-(6,6-Dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl 2-(4-chloro-2-methylphenoxy)acetate, 2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethyl 2-(4-chloro-2-methylphenoxy)acetate, 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl (4-chloro-2-methylphenoxy)acetate
| Molecular Formula | C20H27ClO3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.1649 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 6954-43-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OCCC2CCC3CC2C3(C)C |
| InChIKey | WREMQSJLLUEZTM-UHFFFAOYSA-N |
Product Overview
2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate (CAS 6954-43-4), with molecular formula C20H27ClO3 and molecular weight 350.16 g/mol. IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate
Property Insights of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate
The XLogP value of 6.3 indicates that 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)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, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)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 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate?
The CAS number of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate is 6954-43-4.
What is the molecular formula of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate?
The molecular formula of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate is C20H27ClO3.
What is the molecular weight of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate?
The molecular weight of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate is 350.16 g/mol.
Where can I buy 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate?
You can request a quote for 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate 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]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl(4-chloro-2-methylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.