2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol
TL;DR: 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol (CAS 794-54-7) is a chemical compound with molecular formula C19H31NO and molecular weight 289.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(pyrrolidin-1-ylmethyl)phenol
Also Known As: 2,6-ditert-butyl-4-(pyrrolidin-1-ylmethyl)phenol, 4-Pyrrolidinomethyl-2,6-di-tert-butyl-phenol, 2,6-ditert-butyl-4-(1-pyrrolidinylmethyl)phenol, N-(3,5-Di-tert-butyl-4-hydroxybenzyl)pyrrolidine, 4-(pyrrolidin-1-ylmethyl)-2,6-ditert-butyl-phenol
| Molecular Formula | C19H31NO |
|---|---|
| Molecular Weight | 289.24 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.24057 |
| Heavy Atoms | 21 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 794-54-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCCC2 |
| InChIKey | BGUIPCFRYGAMRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol (CAS 794-54-7), with molecular formula C19H31NO and molecular weight 289.24 g/mol. IUPAC: 2,6-ditert-butyl-4-(pyrrolidin-1-ylmethyl)phenol.
Chemical Property Profile of 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol
Property Insights of 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol
The XLogP value of 5.2 indicates that 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol has 1 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 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol?
The CAS number of 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol is 794-54-7.
What is the molecular formula of 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol?
The molecular formula of 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol is C19H31NO.
What is the molecular weight of 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol?
The molecular weight of 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol is 289.24 g/mol.
Where can I buy 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol?
You can request a quote for 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Ditert-butyl-4-(1-pyrrolidinylmethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.