Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)-
TL;DR: Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- (CAS 67845-53-8) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butyl-2-methylphenoxy)acetaldehyde
Also Known As: 2-Methyl-4-tert-butylphenoxyacetaldehyde, [4- -2-methylphenoxy]acetaldehyde, 2-(4-tert-butyl-2-methylphenoxy)acetaldehyde, (4-tert-butyl-2-methylphenoxy)acetaldehyde, [4-(1,1-Dimethylethyl)-2-methylphenoxy]acetaldehyde
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 67845-53-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)(C)C)OCC=O |
| InChIKey | FNNIBABFMNWSRX-UHFFFAOYSA-N |
Product Overview
Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- (CAS 67845-53-8), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-(4-tert-butyl-2-methylphenoxy)acetaldehyde.
Chemical Property Profile of Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)-
Property Insights of Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)-
The XLogP value of 3.5 indicates that Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- 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 Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)-?
The CAS number of Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- is 67845-53-8.
What is the molecular formula of Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)-?
The molecular formula of Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- is C13H18O2.
What is the molecular weight of Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)-?
The molecular weight of Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- is 206.13 g/mol.
Where can I buy Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)-?
You can request a quote for Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Acetaldehyde, 2-(4-(1,1-dimethylethyl)-2-methylphenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.