3-(tert-Butyl)-4-hydroxybenzaldehyde
TL;DR: 3-(tert-Butyl)-4-hydroxybenzaldehyde (CAS 65678-11-7) 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.
3-tert-butyl-4-hydroxybenzaldehyde
Also Known As: 3-(tert-Butyl)-4-hydroxybenzaldehyde, 3-tert-butyl-4-hydroxybenzaldehyde, 3- -4-hydroxybenzaldehyde, EINECS 265-871-3, 3-t-butyl-4-hydroxybenzaldehyde
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5022 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 321.35242 |
Chemical Identifiers
| CAS Number | 65678-11-7 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)C=O)O |
Product Overview
3-(tert-Butyl)-4-hydroxybenzaldehyde (CAS 65678-11-7), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 3-tert-butyl-4-hydroxybenzaldehyde.
Chemical Property Profile of 3-(tert-Butyl)-4-hydroxybenzaldehyde
Property Insights of 3-(tert-Butyl)-4-hydroxybenzaldehyde
The XLogP value of 2.5022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(tert-Butyl)-4-hydroxybenzaldehyde. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(tert-Butyl)-4-hydroxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(tert-Butyl)-4-hydroxybenzaldehyde has 1 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 3-(tert-Butyl)-4-hydroxybenzaldehyde?
The CAS number of 3-(tert-Butyl)-4-hydroxybenzaldehyde is 65678-11-7.
What is the molecular formula of 3-(tert-Butyl)-4-hydroxybenzaldehyde?
The molecular formula of 3-(tert-Butyl)-4-hydroxybenzaldehyde is C11H14O2.
What is the molecular weight of 3-(tert-Butyl)-4-hydroxybenzaldehyde?
The molecular weight of 3-(tert-Butyl)-4-hydroxybenzaldehyde is 178.10 g/mol.
Where can I buy 3-(tert-Butyl)-4-hydroxybenzaldehyde?
You can request a quote for 3-(tert-Butyl)-4-hydroxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(tert-Butyl)-4-hydroxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-Butyl)-4-hydroxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.