Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester
TL;DR: Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester (CAS 54407-44-2) is a chemical compound with molecular formula C20H20Cl2O2 and molecular weight 362.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester, 4(3H)-Quinazolinethione, 6-fluoro-3-(3-fluorophenyl)-2-methyl-, [(E)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C20H20Cl2O2 |
|---|---|
| Molecular Weight | 362.08 g/mol |
| LogP | 5.2261 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.08405 |
| Heavy Atoms | 24 |
| Complexity | 706.9044 |
Chemical Identifiers
| CAS Number | 54407-44-2 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C(C#C)OC(=O)C2C(C2(C)C)C=C(Cl)Cl |
Product Overview
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester (CAS 54407-44-2), with molecular formula C20H20Cl2O2 and molecular weight 362.08 g/mol. IUPAC: [(E)-2-methyl-1-phenylpent-1-en-4-yn-3-yl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester
Property Insights of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester
The XLogP value of 5.2261 indicates that Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-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-ethynyl-2-methyl-3-phenyl-2-propenyl ester has 0 hydrogen bond donor(s) and 2 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-ethynyl-2-methyl-3-phenyl-2-propenyl ester?
The CAS number of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester is 54407-44-2.
What is the molecular formula of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester?
The molecular formula of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester is C20H20Cl2O2.
What is the molecular weight of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester?
The molecular weight of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester is 362.08 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester?
You can request a quote for Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-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-ethynyl-2-methyl-3-phenyl-2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 1-ethynyl-2-methyl-3-phenyl-2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.