isopropyl chrysanthemate
TL;DR: isopropyl chrysanthemate (CAS 5458-64-0) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: isopropyl chrysanthemate, Chrysanthemic acid, isopropyl ester, chrysanthemic acid, isopropylester, Chrysanthemumsaeure-isopropylester, Isopropyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 5458-64-0 |
|---|---|
| SMILES | CC(C)OC(=O)C1C(C1(C)C)C=C(C)C |
| InChIKey | KTDHAAMLKPAGNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
isopropyl chrysanthemate (CAS 5458-64-0), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of isopropyl chrysanthemate
Property Insights of isopropyl chrysanthemate
The XLogP value of 4.6 indicates that isopropyl 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, isopropyl chrysanthemate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isopropyl 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 isopropyl chrysanthemate?
The CAS number of isopropyl chrysanthemate is 5458-64-0.
What is the molecular formula of isopropyl chrysanthemate?
The molecular formula of isopropyl chrysanthemate is C13H22O2.
What is the molecular weight of isopropyl chrysanthemate?
The molecular weight of isopropyl chrysanthemate is 210.16 g/mol.
Where can I buy isopropyl chrysanthemate?
You can request a quote for isopropyl chrysanthemate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl chrysanthemate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl chrysanthemate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.