5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt
TL;DR: 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt (CAS 59687-34-2) is a chemical compound with molecular formula C38H46N2O12S2 and molecular weight 786.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-benzoyloxy-3-tert-butyl-2-hydroxybenzenesulfonic acid);piperazine
Also Known As: 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt, Benzenesulfonic acid, 5-(benzoyloxy)-3-(1,1-dimethylethyl)-2-hydroxy-, compd. with piperazine(2:1), 5-benzoyloxy-3-tert-butyl-2-hydroxybenzenesulfonic acid; piperazine, 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzene-1-sulfonic acid--piperazine (2/1), RefChem:325587
| Molecular Formula | C38H46N2O12S2 |
|---|---|
| Molecular Weight | 786.25 g/mol |
| LogP | 5.4904 |
| Topological Polar Surface Area | 225.86 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 786.2492 |
| Heavy Atoms | 54 |
| Complexity | 1979.9028 |
Chemical Identifiers
| CAS Number | 59687-34-2 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=CC(=C1)OC(=O)C2=CC=CC=C2)S(=O)(=O)O)O.CC(C)(C)C1=C(C(=CC(=C1)OC(=O)C2=CC=CC=C2)S(=O)(=O)O)O.C1CNCCN1 |
Product Overview
5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt (CAS 59687-34-2), with molecular formula C38H46N2O12S2 and molecular weight 786.25 g/mol. IUPAC: bis(5-benzoyloxy-3-tert-butyl-2-hydroxybenzenesulfonic acid);piperazine.
Chemical Property Profile of 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt
Property Insights of 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt
The XLogP value of 5.4904 indicates that 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.86 Ų indicates high polarity, suggesting 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt?
The CAS number of 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt is 59687-34-2.
What is the molecular formula of 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt?
The molecular formula of 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt is C38H46N2O12S2.
What is the molecular weight of 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt?
The molecular weight of 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt is 786.25 g/mol.
Where can I buy 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt?
You can request a quote for 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzoyloxy)-3-tert-butyl-2-hydroxybenzenesulfonic acid piperazine salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.