Methyl chrysanthemate
TL;DR: Methyl chrysanthemate (CAS 5460-63-9) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Methyl chrysanthemate, Methyl chrysantemate, Methyl trans-chrysanthemate, AI3-30968, methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 5460-63-9 |
|---|---|
| SMILES | CC(=CC1C(C1(C)C)C(=O)OC)C |
| InChIKey | ITNHSNMLIFFVQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl chrysanthemate (CAS 5460-63-9), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Methyl chrysanthemate
Property Insights of Methyl chrysanthemate
The XLogP value of 3.8 indicates that Methyl 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, Methyl chrysanthemate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl chrysanthemate?
The CAS number of Methyl chrysanthemate is 5460-63-9.
What is the molecular formula of Methyl chrysanthemate?
The molecular formula of Methyl chrysanthemate is C11H18O2.
What is the molecular weight of Methyl chrysanthemate?
The molecular weight of Methyl chrysanthemate is 182.13 g/mol.
Where can I buy Methyl chrysanthemate?
You can request a quote for Methyl chrysanthemate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl chrysanthemate?
Yes, KEHONG BIO provides custom synthesis services for Methyl chrysanthemate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.