Ethyl 2,2-dimethylhydrocinnamal
TL;DR: Ethyl 2,2-dimethylhydrocinnamal (CAS 67634-15-5) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethylphenyl)-2,2-dimethylpropanal
Also Known As: Floralozone, Florazone, 3-(4-ethylphenyl)-2,2-dimethylpropanal, Florazon, Florazone?
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 67634-15-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CC(C)(C)C=O |
| InChIKey | JFTSYAALCNQOKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,2-dimethylhydrocinnamal (CAS 67634-15-5), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 3-(4-ethylphenyl)-2,2-dimethylpropanal.
Chemical Property Profile of Ethyl 2,2-dimethylhydrocinnamal
Property Insights of Ethyl 2,2-dimethylhydrocinnamal
The XLogP value of 3.3 indicates that Ethyl 2,2-dimethylhydrocinnamal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Ethyl 2,2-dimethylhydrocinnamal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-dimethylhydrocinnamal has 0 hydrogen bond donor(s) and 1 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 2,2-dimethylhydrocinnamal?
The CAS number of Ethyl 2,2-dimethylhydrocinnamal is 67634-15-5.
What is the molecular formula of Ethyl 2,2-dimethylhydrocinnamal?
The molecular formula of Ethyl 2,2-dimethylhydrocinnamal is C13H18O.
What is the molecular weight of Ethyl 2,2-dimethylhydrocinnamal?
The molecular weight of Ethyl 2,2-dimethylhydrocinnamal is 190.14 g/mol.
Where can I buy Ethyl 2,2-dimethylhydrocinnamal?
You can request a quote for Ethyl 2,2-dimethylhydrocinnamal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-dimethylhydrocinnamal?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dimethylhydrocinnamal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.