3,5-Di-tert-butyl-4-hydroxybenzyl benzoate
TL;DR: 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate (CAS 96506-55-7) is a chemical compound with molecular formula C22H28O3 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-ditert-butyl-4-hydroxyphenyl)methyl benzoate
Also Known As: 3,5-di-tert-butyl-4-hydroxybenzyl benzoate, 4-hydroxy-3,5-di-t-butylbenzyl benzoate, (3,5-ditert-butyl-4-hydroxyphenyl)methyl benzoate
| Molecular Formula | C22H28O3 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 5.3442 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.20386 |
| Heavy Atoms | 25 |
| Complexity | 712.07227 |
Chemical Identifiers
| CAS Number | 96506-55-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)COC(=O)C2=CC=CC=C2 |
Product Overview
3,5-Di-tert-butyl-4-hydroxybenzyl benzoate (CAS 96506-55-7), with molecular formula C22H28O3 and molecular weight 340.20 g/mol. IUPAC: (3,5-ditert-butyl-4-hydroxyphenyl)methyl benzoate.
Chemical Property Profile of 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate
Property Insights of 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate
The XLogP value of 5.3442 indicates that 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate has 1 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 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate?
The CAS number of 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate is 96506-55-7.
What is the molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate?
The molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate is C22H28O3.
What is the molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate?
The molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate is 340.20 g/mol.
Where can I buy 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate?
You can request a quote for 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-tert-butyl-4-hydroxybenzyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.