Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate)
TL;DR: Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) (CAS 68015-60-1) is a chemical compound with molecular formula C27H26N2O6S2 and molecular weight 538.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-[4-(2-aminophenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 2-aminobenzenesulfonate
Also Known As: Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate), 2-Aminobenzenesulfonic acid (1-methylethylidene)di-4,1-phenylene ester, 4,4'-bis(2-Amino-benzenesulfonyl)bisphenol ester, P848, Propane-2,2-diylbis(4,1-phenylene) bis(2-aminobenzenesulfonate)
| Molecular Formula | C27H26N2O6S2 |
|---|---|
| Molecular Weight | 538.12 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.1232 |
| Heavy Atoms | 37 |
| Complexity | 866.0 |
Chemical Identifiers
| CAS Number | 68015-60-1 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2N)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4N |
| InChIKey | XSHPYHIIELUPAR-UHFFFAOYSA-N |
Product Overview
Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) (CAS 68015-60-1), with molecular formula C27H26N2O6S2 and molecular weight 538.12 g/mol. IUPAC: [4-[2-[4-(2-aminophenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 2-aminobenzenesulfonate.
Chemical Property Profile of Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate)
Property Insights of Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate)
The XLogP value of 6.7 indicates that Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate)?
The CAS number of Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) is 68015-60-1.
What is the molecular formula of Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate)?
The molecular formula of Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) is C27H26N2O6S2.
What is the molecular weight of Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate)?
The molecular weight of Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) is 538.12 g/mol.
Where can I buy Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate)?
You can request a quote for Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate)?
Yes, KEHONG BIO provides custom synthesis services for Isopropylidenedi-1,4-phenylene bis(2-aminobenzenesulphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.