p-tert-Butoxybenzaldehyde
TL;DR: p-tert-Butoxybenzaldehyde (CAS 57699-45-3) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylpropan-2-yl)oxy]benzaldehyde
Also Known As: 4-(Tert-Butoxy)Benzaldehyde, 4-tert-Butoxybenzaldehyde, p-tert-Butoxybenzaldehyde, 4-(tert-Butyloxy)benzaldehyde, 4-t-butoxybenzaldehyde
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 57699-45-3 |
|---|---|
| SMILES | CC(C)(C)OC1=CC=C(C=C1)C=O |
| InChIKey | VWSFZYXXQDKXKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-tert-Butoxybenzaldehyde (CAS 57699-45-3), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 4-[(2-methylpropan-2-yl)oxy]benzaldehyde.
Chemical Property Profile of p-tert-Butoxybenzaldehyde
Property Insights of p-tert-Butoxybenzaldehyde
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-tert-Butoxybenzaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, p-tert-Butoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-tert-Butoxybenzaldehyde 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
Frequently Asked Questions
What is the CAS number of p-tert-Butoxybenzaldehyde?
The CAS number of p-tert-Butoxybenzaldehyde is 57699-45-3.
What is the molecular formula of p-tert-Butoxybenzaldehyde?
The molecular formula of p-tert-Butoxybenzaldehyde is C11H14O2.
What is the molecular weight of p-tert-Butoxybenzaldehyde?
The molecular weight of p-tert-Butoxybenzaldehyde is 178.10 g/mol.
Where can I buy p-tert-Butoxybenzaldehyde?
You can request a quote for p-tert-Butoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Butoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Butoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.