3-(2-Ethylphenyl)-2,2-dimethylpropanal
TL;DR: 3-(2-Ethylphenyl)-2,2-dimethylpropanal (CAS 67634-14-4) 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-(2-ethylphenyl)-2,2-dimethylpropanal
Also Known As: Floralozone, 3-(2-ethylphenyl)-2,2-dimethylpropanal, (s)-2-hydroxyheptanenitrile, 2-ethyl-alpha,alpha-dimethylbenzenepropanal, Benzenepropanal, 2-ethyl-alpha,alpha-dimethyl-
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 3.5 |
| 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 | 184.0 |
Chemical Identifiers
| CAS Number | 67634-14-4 |
|---|---|
| SMILES | CCC1=CC=CC=C1CC(C)(C)C=O |
| InChIKey | ITJHALDCYCTNNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Ethylphenyl)-2,2-dimethylpropanal (CAS 67634-14-4), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: 3-(2-ethylphenyl)-2,2-dimethylpropanal.
Chemical Property Profile of 3-(2-Ethylphenyl)-2,2-dimethylpropanal
Property Insights of 3-(2-Ethylphenyl)-2,2-dimethylpropanal
The XLogP value of 3.5 indicates that 3-(2-Ethylphenyl)-2,2-dimethylpropanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(2-Ethylphenyl)-2,2-dimethylpropanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Ethylphenyl)-2,2-dimethylpropanal 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 3-(2-Ethylphenyl)-2,2-dimethylpropanal?
The CAS number of 3-(2-Ethylphenyl)-2,2-dimethylpropanal is 67634-14-4.
What is the molecular formula of 3-(2-Ethylphenyl)-2,2-dimethylpropanal?
The molecular formula of 3-(2-Ethylphenyl)-2,2-dimethylpropanal is C13H18O.
What is the molecular weight of 3-(2-Ethylphenyl)-2,2-dimethylpropanal?
The molecular weight of 3-(2-Ethylphenyl)-2,2-dimethylpropanal is 190.14 g/mol.
Where can I buy 3-(2-Ethylphenyl)-2,2-dimethylpropanal?
You can request a quote for 3-(2-Ethylphenyl)-2,2-dimethylpropanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Ethylphenyl)-2,2-dimethylpropanal?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Ethylphenyl)-2,2-dimethylpropanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.