3-(3-tert-Butylphenyl)-2-methylpropanal
TL;DR: 3-(3-tert-Butylphenyl)-2-methylpropanal (CAS 62518-65-4) is a chemical compound with molecular formula C14H20O and molecular weight 204.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-tert-butylphenyl)-2-methylpropanal
Also Known As: 3-(3-tert-Butylphenyl)-2-methylpropanal, 3-(m-tert-Butylphenyl)-2-methylpropionaldehyde, 3(3tertButylphenyl)2methylpropanal, 3-tert-Butyl-alpha-methylbenzenepropanal, Benzenepropanal, 3-(1,1-dimethylethyl)-.alpha.-methyl-
| Molecular Formula | C14H20O |
|---|---|
| Molecular Weight | 204.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.15141 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 62518-65-4 |
|---|---|
| SMILES | CC(CC1=CC(=CC=C1)C(C)(C)C)C=O |
| InChIKey | GLZRHVTZLDNUQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-tert-Butylphenyl)-2-methylpropanal (CAS 62518-65-4), with molecular formula C14H20O and molecular weight 204.15 g/mol. IUPAC: 3-(3-tert-butylphenyl)-2-methylpropanal.
Chemical Property Profile of 3-(3-tert-Butylphenyl)-2-methylpropanal
Property Insights of 3-(3-tert-Butylphenyl)-2-methylpropanal
The XLogP value of 3.9 indicates that 3-(3-tert-Butylphenyl)-2-methylpropanal 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-(3-tert-Butylphenyl)-2-methylpropanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-tert-Butylphenyl)-2-methylpropanal 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-(3-tert-Butylphenyl)-2-methylpropanal?
The CAS number of 3-(3-tert-Butylphenyl)-2-methylpropanal is 62518-65-4.
What is the molecular formula of 3-(3-tert-Butylphenyl)-2-methylpropanal?
The molecular formula of 3-(3-tert-Butylphenyl)-2-methylpropanal is C14H20O.
What is the molecular weight of 3-(3-tert-Butylphenyl)-2-methylpropanal?
The molecular weight of 3-(3-tert-Butylphenyl)-2-methylpropanal is 204.15 g/mol.
Where can I buy 3-(3-tert-Butylphenyl)-2-methylpropanal?
You can request a quote for 3-(3-tert-Butylphenyl)-2-methylpropanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-tert-Butylphenyl)-2-methylpropanal?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-tert-Butylphenyl)-2-methylpropanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.