3-(4-tert.-Butylphenyl)butanal
TL;DR: 3-(4-tert.-Butylphenyl)butanal (CAS 39390-70-0) 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-(4-tert-butylphenyl)butanal
Also Known As: Lilial, Lilyal, lily aldehyde, 3-(4-tert-butylphenyl)butanal, 3-(4-tert.-Butylphenyl)butanal
| Molecular Formula | C14H20O |
|---|---|
| Molecular Weight | 204.15 g/mol |
| LogP | 3.6 |
| 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 | 194.0 |
Chemical Identifiers
| CAS Number | 39390-70-0 |
|---|---|
| SMILES | CC(CC=O)C1=CC=C(C=C1)C(C)(C)C |
| InChIKey | NKZPGPZCKPODMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-tert.-Butylphenyl)butanal (CAS 39390-70-0), with molecular formula C14H20O and molecular weight 204.15 g/mol. IUPAC: 3-(4-tert-butylphenyl)butanal.
Chemical Property Profile of 3-(4-tert.-Butylphenyl)butanal
Property Insights of 3-(4-tert.-Butylphenyl)butanal
The XLogP value of 3.6 indicates that 3-(4-tert.-Butylphenyl)butanal 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-(4-tert.-Butylphenyl)butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert.-Butylphenyl)butanal 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-tert.-Butylphenyl)butanal?
The CAS number of 3-(4-tert.-Butylphenyl)butanal is 39390-70-0.
What is the molecular formula of 3-(4-tert.-Butylphenyl)butanal?
The molecular formula of 3-(4-tert.-Butylphenyl)butanal is C14H20O.
What is the molecular weight of 3-(4-tert.-Butylphenyl)butanal?
The molecular weight of 3-(4-tert.-Butylphenyl)butanal is 204.15 g/mol.
Where can I buy 3-(4-tert.-Butylphenyl)butanal?
You can request a quote for 3-(4-tert.-Butylphenyl)butanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-tert.-Butylphenyl)butanal?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert.-Butylphenyl)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.