4-Hydroxy-3,5-bis(t-butyl)benzaldoxime
TL;DR: 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime (CAS 787-13-3) is a chemical compound with molecular formula C15H23NO2 and molecular weight 249.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(hydroxyiminomethyl)phenol
Also Known As: 4-hydroxy-3,5-bis(t-butyl)benzaldoxime, 4-hydroxy-3,5-di-t-butylbenzaldehyde oxime, 3,5-Di-tert-butyl-4-hydroxy-benzaldehyde oxime, Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-, oxime, 3,5-DITERT-BUTYL-4-HYDROXYBENZALDEHYDE OXIME
| Molecular Formula | C15H23NO2 |
|---|---|
| Molecular Weight | 249.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.17288 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 787-13-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=NO |
| InChIKey | MHAZQZQNQAMVMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-3,5-bis(t-butyl)benzaldoxime (CAS 787-13-3), with molecular formula C15H23NO2 and molecular weight 249.17 g/mol. IUPAC: 2,6-ditert-butyl-4-(hydroxyiminomethyl)phenol.
Chemical Property Profile of 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime
Property Insights of 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime
The XLogP value of 4.6 indicates that 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime 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 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime?
The CAS number of 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime is 787-13-3.
What is the molecular formula of 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime?
The molecular formula of 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime is C15H23NO2.
What is the molecular weight of 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime?
The molecular weight of 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime is 249.17 g/mol.
Where can I buy 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime?
You can request a quote for 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3,5-bis(t-butyl)benzaldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.