![3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal structure](/static/products/866/86604-07-1.png)
3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal
TL;DR: 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal (CAS 86604-07-1) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)prop-2-enal
Also Known As: 3-(4-tert-Butyl-phenyl)-propenal, 3-(4-(tert-Butyl)phenyl)acrylaldehyde, 3-(4-tert-butylphenyl)prop-2-enal, 3-(4-t-butylphenyl)-2-propen-1-one, (E)-3-(4-(tert-Butyl)phenyl)acrylaldehyde
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.1962 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 325.24835 |
Chemical Identifiers
| CAS Number | 86604-07-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C=CC=O |
Product Overview
3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal (CAS 86604-07-1), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 3-(4-tert-butylphenyl)prop-2-enal.
Chemical Property Profile of 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal
Property Insights of 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal
The XLogP value of 3.1962 indicates that 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal 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-[4-(1,1-Dimethylethyl)phenyl]-2-propenal?
The CAS number of 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal is 86604-07-1.
What is the molecular formula of 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal?
The molecular formula of 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal is C13H16O.
What is the molecular weight of 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal?
The molecular weight of 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal is 188.12 g/mol.
Where can I buy 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal?
You can request a quote for 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(1,1-Dimethylethyl)phenyl]-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.