![2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate structure](/static/products/6278/62789-50-8.webp)
2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate
TL;DR: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate (CAS 62789-50-8) is a chemical compound with molecular formula C19H21Cl3O3 and molecular weight 402.06 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)acetate
Also Known As: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate, 2-(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2-(2,4,5-trichlorophenoxy)acetate, 2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl 2-(2,4,5-trichlorophenoxy)acetate, 2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl (2,4,5-trichlorophenoxy)acetate
| Molecular Formula | C19H21Cl3O3 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.05563 |
| Heavy Atoms | 25 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 62789-50-8 |
|---|---|
| SMILES | CC1(C2CC=C(C1C2)CCOC(=O)COC3=CC(=C(C=C3Cl)Cl)Cl)C |
| InChIKey | QJLPKHKSZWZRMV-UHFFFAOYSA-N |
Product Overview
2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate (CAS 62789-50-8), with molecular formula C19H21Cl3O3 and molecular weight 402.06 g/mol. IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate
Property Insights of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate
The XLogP value of 6.2 indicates that 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)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-en-2-yl)ethyl(2,4,5-trichlorophenoxy)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-en-2-yl)ethyl(2,4,5-trichlorophenoxy)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-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate?
The CAS number of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate is 62789-50-8.
What is the molecular formula of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate?
The molecular formula of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate is C19H21Cl3O3.
What is the molecular weight of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate?
The molecular weight of 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate is 402.06 g/mol.
Where can I buy 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate?
You can request a quote for 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)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-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl(2,4,5-trichlorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.