5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime
TL;DR: 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime (CAS 50849-50-8) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-(hydroxyiminomethyl)phenol
Also Known As: 2-hydroxy-5-t-butylbenzaldehyde oxime, 4-TERT-BUTYL-2-[(HYDROXYIMINO)METHYL]PHENOL, 4-Tert-butyl-2-(hydroxyiminomethyl)phenol, 5-(tert-butyl)-2-hydroxybenzenecarbaldehyde oxime, benzaldehyde oxime, 2-hydroxy, 5-(t-butyl)
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.4978 |
| Topological Polar Surface Area | 52.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 350.79544 |
Chemical Identifiers
| CAS Number | 50849-50-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)C=NO |
Product Overview
5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime (CAS 50849-50-8), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: 4-tert-butyl-2-(hydroxyiminomethyl)phenol.
Chemical Property Profile of 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime
Property Insights of 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime
The XLogP value of 2.4978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime. With a topological polar surface area (TPSA) of 52.82 Ų, 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime has 2 hydrogen bond donor(s) and 3 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 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime?
The CAS number of 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime is 50849-50-8.
What is the molecular formula of 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime?
The molecular formula of 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime is C11H15NO2.
What is the molecular weight of 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime?
The molecular weight of 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime is 193.11 g/mol.
Where can I buy 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime?
You can request a quote for 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.