Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester
TL;DR: Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester (CAS 81910-11-4) is a chemical compound with molecular formula C17H20Cl2O4 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo[3.1.0]hexan-2-yl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo[3.1.0]hex-2-yl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate, (1-cyclopropyl-5-methyl-2-oxo-6-oxabicyclo[3.1.0]hexan-4-yl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate, (5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo[3.1.0]hexan-2-yl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate, 5-Cyclopropyl-1-methyl-4-oxo-6-oxabicyclo[3.1.0]hexan-2-yl 3-(2,2-dichloroethen-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
| Molecular Formula | C17H20Cl2O4 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 55.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.07385 |
| Heavy Atoms | 23 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 81910-11-4 |
|---|---|
| SMILES | CC1(C(C1C(=O)OC2CC(=O)C3(C2(O3)C)C4CC4)C=C(Cl)Cl)C |
| InChIKey | HSSUQAOSTKHWED-UHFFFAOYSA-N |
Product Overview
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester (CAS 81910-11-4), with molecular formula C17H20Cl2O4 and molecular weight 358.07 g/mol. IUPAC: (5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo[3.1.0]hexan-2-yl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester
Property Insights of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester
The XLogP value of 3.2 indicates that Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.9 Ų, Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl 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-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester?
The CAS number of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester is 81910-11-4.
What is the molecular formula of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester?
The molecular formula of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester is C17H20Cl2O4.
What is the molecular weight of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester?
The molecular weight of Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester is 358.07 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester?
You can request a quote for Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl 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-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, 5-cyclopropyl-1-methyl-4-oxo-6-oxabicyclo(3.1.0)hex-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.