4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol
TL;DR: 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol (CAS 76537-53-6) is a chemical compound with molecular formula C28H35NO2 and molecular weight 417.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-[[N-[(5-tert-butyl-2-hydroxyphenyl)methyl]anilino]methyl]phenol
Also Known As: NCIStruc1_001235, NCIStruc2_001210, NCI60_004162, 2,2'-[(phenylimino)dimethanediyl]bis(4-tert-butylphenol), 4-tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol
| Molecular Formula | C28H35NO2 |
|---|---|
| Molecular Weight | 417.27 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.26678 |
| Heavy Atoms | 31 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 76537-53-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC(=C2)C(C)(C)C)O)C3=CC=CC=C3 |
| InChIKey | PNAKTKQCGUAXKF-UHFFFAOYSA-N |
Product Overview
4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol (CAS 76537-53-6), with molecular formula C28H35NO2 and molecular weight 417.27 g/mol. IUPAC: 4-tert-butyl-2-[[N-[(5-tert-butyl-2-hydroxyphenyl)methyl]anilino]methyl]phenol.
Chemical Property Profile of 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol
Property Insights of 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol
The XLogP value of 7.7 indicates that 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol?
The CAS number of 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol is 76537-53-6.
What is the molecular formula of 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol?
The molecular formula of 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol is C28H35NO2.
What is the molecular weight of 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol?
The molecular weight of 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol is 417.27 g/mol.
Where can I buy 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol?
You can request a quote for 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.