![2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate structure](/static/products/6278/6278-93-9.webp)
2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate
TL;DR: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate (CAS 6278-93-9) is a chemical compound with molecular formula C20H23Cl3O3 and molecular weight 416.07 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]hept-2-enyl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate
Also Known As: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate, 2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl 2-(2,4,5-t, 2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate, 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate
| Molecular Formula | C20H23Cl3O3 |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.0713 |
| Heavy Atoms | 26 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 6278-93-9 |
|---|---|
| SMILES | CC(C(=O)OCCC1=CCC2CC1C2(C)C)OC3=CC(=C(C=C3Cl)Cl)Cl |
| InChIKey | DSMACWUWXMGHRZ-UHFFFAOYSA-N |
Product Overview
2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate (CAS 6278-93-9), with molecular formula C20H23Cl3O3 and molecular weight 416.07 g/mol. IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate.
Chemical Property Profile of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate
Property Insights of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate
The XLogP value of 6.6 indicates that 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate 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-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate 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-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate 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-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate?
The CAS number of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate is 6278-93-9.
What is the molecular formula of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate?
The molecular formula of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate is C20H23Cl3O3.
What is the molecular weight of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate?
The molecular weight of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate is 416.07 g/mol.
Where can I buy 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate?
You can request a quote for 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate 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-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl 2-(2,4,5-trichlorophenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.