Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1)
TL;DR: Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) (CAS 58357-70-3) is a chemical compound with molecular formula C36H40Cl2N2O14S2 and molecular weight 858.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid);piperazine
Also Known As: Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1), 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid; piperazine, 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid;piperazine, 5-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}-2-hydroxybenzene-1-sulfonic acid--piperazine (2/1), RefChem:374711
| Molecular Formula | C36H40Cl2N2O14S2 |
|---|---|
| Molecular Weight | 858.13 g/mol |
| LogP | 5.2898 |
| Topological Polar Surface Area | 244.32 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 858.1298 |
| Heavy Atoms | 56 |
| Complexity | 2033.3032 |
Chemical Identifiers
| CAS Number | 58357-70-3 |
|---|---|
| SMILES | CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl.CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl.C1CNCCN1 |
Product Overview
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) (CAS 58357-70-3), with molecular formula C36H40Cl2N2O14S2 and molecular weight 858.13 g/mol. IUPAC: bis(5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid);piperazine.
Chemical Property Profile of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1)
Property Insights of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1)
The XLogP value of 5.2898 indicates that Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 244.32 Ų indicates high polarity, suggesting Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1)?
The CAS number of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) is 58357-70-3.
What is the molecular formula of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1)?
The molecular formula of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) is C36H40Cl2N2O14S2.
What is the molecular weight of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1)?
The molecular weight of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) is 858.13 g/mol.
Where can I buy Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1)?
You can request a quote for Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 4-hydroxy-3-sulfophenyl ester, compd. with piperazine (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.