Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester
TL;DR: Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester (CAS 83106-69-8) is a chemical compound with molecular formula C25H23Cl2NO3 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester, [(E)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C25H23Cl2NO3 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 6.90878 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1055 |
| Heavy Atoms | 31 |
| Complexity | 1049.9369 |
Chemical Identifiers
| CAS Number | 83106-69-8 |
|---|---|
| SMILES | C/C(=C\C1=CC(=CC=C1)OC2=CC=CC=C2)/C(C#N)OC(=O)C3C(C3(C)C)C=C(Cl)Cl |
Product Overview
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester (CAS 83106-69-8), with molecular formula C25H23Cl2NO3 and molecular weight 455.11 g/mol. IUPAC: [(E)-1-cyano-2-methyl-3-(3-phenoxyphenyl)prop-2-enyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester
Property Insights of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester
The XLogP value of 6.90878 indicates that Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.32 Ų, Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester?
The CAS number of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester is 83106-69-8.
What is the molecular formula of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester?
The molecular formula of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester is C25H23Cl2NO3.
What is the molecular weight of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester?
The molecular weight of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester is 455.11 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester?
You can request a quote for Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-,1-cyano-2-methyl-3-(3-phenoxyphenyl)-2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.