4-(Benzylaminomethyl)-2,6-di-tert-butylphenol
TL;DR: 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol (CAS 79126-41-3) is a chemical compound with molecular formula C22H31NO and molecular weight 325.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(benzylamino)methyl]-2,6-ditert-butylphenol
Also Known As: Not Available, 4-(benzylaminomethyl)-2,6-di-tert-butylphenol, 4-((Benzylamino)methyl)-2,6-di-tert-butylphenol, 4-[(benzylamino)methyl]-2,6-ditert-butylphenol, 4-(benzylamino-methyl)-2,6-di-tert-butyl-phenol
| Molecular Formula | C22H31NO |
|---|---|
| Molecular Weight | 325.24 g/mol |
| LogP | 5.277 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.24057 |
| Heavy Atoms | 24 |
| Complexity | 640.3466 |
Chemical Identifiers
| CAS Number | 79126-41-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNCC2=CC=CC=C2 |
Product Overview
4-(Benzylaminomethyl)-2,6-di-tert-butylphenol (CAS 79126-41-3), with molecular formula C22H31NO and molecular weight 325.24 g/mol. IUPAC: 4-[(benzylamino)methyl]-2,6-ditert-butylphenol.
Chemical Property Profile of 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol
Property Insights of 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol
The XLogP value of 5.277 indicates that 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.26 Ų, 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol?
The CAS number of 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol is 79126-41-3.
What is the molecular formula of 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol?
The molecular formula of 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol is C22H31NO.
What is the molecular weight of 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol?
The molecular weight of 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol is 325.24 g/mol.
Where can I buy 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol?
You can request a quote for 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylaminomethyl)-2,6-di-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.