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 204.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-tert-butylphenyl)butanal
Also Known As: Lilial, Lilyal, lily aldehyde, 3-(4-tert-butylphenyl)butanal, 3-(4-tert.-Butylphenyl)butanal
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20O |
| Molecular Weight | 204.15141 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.15141 Da |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
| SMILES | CC(CC=O)C1=CC=C(C=C1)C(C)(C)C |
| InChIKey | NKZPGPZCKPODMT-UHFFFAOYSA-N |
Product Description
Applications: 3-(4-tert.-Butylphenyl)butanal is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-(4-tert.-Butylphenyl)butanal is a pharmaceutical intermediate identified by CAS number 39390-70-0 and the molecular formula C14H20O and a molecular weight of 204.15 g/mol. Synonyms include Lilial and Lilyal.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 204.15141 g/mol.
What are the applications of 3-(4-tert.-Butylphenyl)butanal?
3-(4-tert.-Butylphenyl)butanal is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 3-(4-tert.-Butylphenyl)butanal?
You can request a quote for 3-(4-tert.-Butylphenyl)butanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-tert.-Butylphenyl)butanal?
Yes, CoreyChem provides custom synthesis services for 3-(4-tert.-Butylphenyl)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.