2-(4-Tert-butylphenyl)acetaldehyde
TL;DR: 2-(4-Tert-butylphenyl)acetaldehyde (CAS 109347-45-7) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)acetaldehyde
Also Known As: 2-(4-tert-butylphenyl)acetaldehyde, Clorexolone, (4-tert-Butylphenyl)acetaldehyde, 1H-Indole-3-carbaldehyde, (4-tert-Butylphenyl)ethanal
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 109347-45-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CC=O |
| InChIKey | VMLYBYNXKMHLIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Tert-butylphenyl)acetaldehyde (CAS 109347-45-7), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 2-(4-tert-butylphenyl)acetaldehyde.
Chemical Property Profile of 2-(4-Tert-butylphenyl)acetaldehyde
Property Insights of 2-(4-Tert-butylphenyl)acetaldehyde
The XLogP value of 3.0 indicates that 2-(4-Tert-butylphenyl)acetaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-(4-Tert-butylphenyl)acetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Tert-butylphenyl)acetaldehyde 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 2-(4-Tert-butylphenyl)acetaldehyde?
The CAS number of 2-(4-Tert-butylphenyl)acetaldehyde is 109347-45-7.
What is the molecular formula of 2-(4-Tert-butylphenyl)acetaldehyde?
The molecular formula of 2-(4-Tert-butylphenyl)acetaldehyde is C12H16O.
What is the molecular weight of 2-(4-Tert-butylphenyl)acetaldehyde?
The molecular weight of 2-(4-Tert-butylphenyl)acetaldehyde is 176.12 g/mol.
Where can I buy 2-(4-Tert-butylphenyl)acetaldehyde?
You can request a quote for 2-(4-Tert-butylphenyl)acetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Tert-butylphenyl)acetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Tert-butylphenyl)acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.