Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt
TL;DR: Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt (CAS 58357-75-8) is a chemical compound with molecular formula C52H46CaCl4O18S2 and molecular weight 1202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonate)
Also Known As: Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt, 2-(4-Chlorophenoxy)-2-methylpropanoic acid 2-sulfo-1,4-phenylene ester calcium salt, calcium 2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonate, Calcium bis(2,5-bis{[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy}benzene-1-sulfonate), RefChem:374709
| Molecular Formula | C52H46CaCl4O18S2 |
|---|---|
| Molecular Weight | 1202.05 g/mol |
| LogP | 10.4662 |
| Topological Polar Surface Area | 256.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Exact Mass | 1202.0505 |
| Heavy Atoms | 77 |
| Complexity | 3095.291 |
Chemical Identifiers
| CAS Number | 58357-75-8 |
|---|---|
| SMILES | CC(C)(C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)S(=O)(=O)[O-])OC3=CC=C(C=C3)Cl.CC(C)(C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)S(=O)(=O)[O-])OC3=CC=C(C=C3)Cl.[Ca+2] |
Product Overview
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt (CAS 58357-75-8), with molecular formula C52H46CaCl4O18S2 and molecular weight 1202.05 g/mol. IUPAC: calcium bis(2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonate).
Chemical Property Profile of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt
Property Insights of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt
The XLogP value of 10.4662 indicates that Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.52 Ų indicates high polarity, suggesting Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt has 0 hydrogen bond donor(s) and 18 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-, 2-sulfo-1,4-phenylene ester, calcium salt?
The CAS number of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt is 58357-75-8.
What is the molecular formula of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt?
The molecular formula of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt is C52H46CaCl4O18S2.
What is the molecular weight of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt?
The molecular weight of Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt is 1202.05 g/mol.
Where can I buy Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt?
You can request a quote for Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt 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-, 2-sulfo-1,4-phenylene ester, calcium salt?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 2-sulfo-1,4-phenylene ester, calcium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.