Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine
TL;DR: Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (CAS 59687-36-4) is a chemical compound with molecular formula C30H28Cl2N2O12S2 and molecular weight 742.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-(4-chlorobenzoyl)oxy-2-hydroxybenzenesulfonic acid);piperazine
Also Known As: 4-Hydroxy-3-sulfophenyl 4-chlorobenzoate compd. with piperazine (2:1), Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine, 4-Chlorobenzoic acid 4-hydroxy-3-sulfophenyl ester compd. with piperazine (2:1), 5-(4-chlorobenzoyl)oxy-2-hydroxybenzenesulfonic acid;piperazine, 5-(4-chlorobenzoyl)oxy-2-hydroxybenzenesulfonic acid; piperazine
| Molecular Formula | C30H28Cl2N2O12S2 |
|---|---|
| Molecular Weight | 742.05 g/mol |
| LogP | 4.2022 |
| Topological Polar Surface Area | 225.86 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 742.0461 |
| Heavy Atoms | 48 |
| Complexity | 1804.5759 |
Chemical Identifiers
| CAS Number | 59687-36-4 |
|---|---|
| SMILES | C1CNCCN1.C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O)Cl.C1=CC(=CC=C1C(=O)OC2=CC(=C(C=C2)O)S(=O)(=O)O)Cl |
Product Overview
Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (CAS 59687-36-4), with molecular formula C30H28Cl2N2O12S2 and molecular weight 742.05 g/mol. IUPAC: bis(5-(4-chlorobenzoyl)oxy-2-hydroxybenzenesulfonic acid);piperazine.
Chemical Property Profile of Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine
Property Insights of Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine
The XLogP value of 4.2022 indicates that Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.86 Ų indicates high polarity, suggesting Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine 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 Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine?
The CAS number of Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine is 59687-36-4.
What is the molecular formula of Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine?
The molecular formula of Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine is C30H28Cl2N2O12S2.
What is the molecular weight of Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine?
The molecular weight of Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine is 742.05 g/mol.
Where can I buy Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine?
You can request a quote for Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.