4-Tert-butyl-3-methoxybenzaldehyde
TL;DR: 4-Tert-butyl-3-methoxybenzaldehyde (CAS 1017060-05-7) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-3-methoxybenzaldehyde
Also Known As: starbld0046551, 4-TERT-BUTYL-3-METHOXYBENZALDEHYDE, 4-(tert-Butyl)-3-methoxybenzaldehyde, 3-methoxy-4-tert-butyl-benzaldehyde, 4-(1,1-dimethylethyl)-3-methoxyBenzaldehyde
Technical Specifications
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.11504 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 Da |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
| SMILES | CC(C)(C)C1=C(C=C(C=C1)C=O)OC |
| InChIKey | SMWWWWLTDRAHEO-UHFFFAOYSA-N |
Chemical Property Profile of 4-Tert-butyl-3-methoxybenzaldehyde
Property Insights of 4-Tert-butyl-3-methoxybenzaldehyde
The XLogP value of 3.0 indicates that 4-Tert-butyl-3-methoxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Tert-butyl-3-methoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-3-methoxybenzaldehyde has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Tert-butyl-3-methoxybenzaldehyde?
The CAS number of 4-Tert-butyl-3-methoxybenzaldehyde is 1017060-05-7.
What is the molecular formula of 4-Tert-butyl-3-methoxybenzaldehyde?
The molecular formula of 4-Tert-butyl-3-methoxybenzaldehyde is C12H16O2.
What is the molecular weight of 4-Tert-butyl-3-methoxybenzaldehyde?
The molecular weight of 4-Tert-butyl-3-methoxybenzaldehyde is 192.11504 g/mol.
Where can I buy 4-Tert-butyl-3-methoxybenzaldehyde?
You can request a quote for 4-Tert-butyl-3-methoxybenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Tert-butyl-3-methoxybenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 4-Tert-butyl-3-methoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.