Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine
TL;DR: Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine (CAS 728-39-2) is a chemical compound with molecular formula C16H27NO and molecular weight 249.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-aminoethyl)-2,6-ditert-butylphenol
Also Known As: 4-(1-aminoethyl)-2,6-di-tert-butylphenol, BH 3, 4-(1-aminoethyl)-2,6-ditert-butylphenol, 1-(3,5-di-t-butyl-4-hydroxyphenyl)ethylamine, alpha-Methyl-3,5-di-tert-butyl-4-hydroxybenzylamine
| Molecular Formula | C16H27NO |
|---|---|
| Molecular Weight | 249.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.20926 |
| Heavy Atoms | 18 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 728-39-2 |
|---|---|
| SMILES | CC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)N |
| InChIKey | DNISYQIZVIFCRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine (CAS 728-39-2), with molecular formula C16H27NO and molecular weight 249.21 g/mol. IUPAC: 4-(1-aminoethyl)-2,6-ditert-butylphenol.
Chemical Property Profile of Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine
Property Insights of Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine
The XLogP value of 4.2 indicates that Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine has 2 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 Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine?
The CAS number of Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine is 728-39-2.
What is the molecular formula of Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine?
The molecular formula of Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine is C16H27NO.
What is the molecular weight of Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine?
The molecular weight of Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine is 249.21 g/mol.
Where can I buy Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine?
You can request a quote for Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine?
Yes, KEHONG BIO provides custom synthesis services for Alpha-methyl-3,5-di-tert-butyl-4-hydroxybenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.