Ethyl chrysanthemate
TL;DR: Ethyl chrysanthemate (CAS 97-41-6) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Ethyl chrysanthemate, Ethyl chrysanthemumate, Ethylchrysanthemate, Rhinolure, chrysanthemic acid, ethyl ester
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 97-41-6 |
|---|---|
| SMILES | CCOC(=O)C1C(C1(C)C)C=C(C)C |
| InChIKey | VIMXTGUGWLAOFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl chrysanthemate (CAS 97-41-6), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Ethyl chrysanthemate
Property Insights of Ethyl chrysanthemate
The XLogP value of 4.1 indicates that Ethyl chrysanthemate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl chrysanthemate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl chrysanthemate has 0 hydrogen bond donor(s) and 2 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 Ethyl chrysanthemate?
The CAS number of Ethyl chrysanthemate is 97-41-6.
What is the molecular formula of Ethyl chrysanthemate?
The molecular formula of Ethyl chrysanthemate is C12H20O2.
What is the molecular weight of Ethyl chrysanthemate?
The molecular weight of Ethyl chrysanthemate is 196.15 g/mol.
Where can I buy Ethyl chrysanthemate?
You can request a quote for Ethyl chrysanthemate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl chrysanthemate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl chrysanthemate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.