(E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate)
TL;DR: (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) (CAS 316-23-4) is a chemical compound with molecular formula C18H20O8S2 and molecular weight 428.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] hydrogen sulfate
Also Known As: (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate), [4-[4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] hydrogen sulfate
| Molecular Formula | C18H20O8S2 |
|---|---|
| Molecular Weight | 428.06 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 428.05997 |
| Heavy Atoms | 28 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 316-23-4 |
|---|---|
| SMILES | CCC(=C(CC)C1=CC=C(C=C1)OS(=O)(=O)O)C2=CC=C(C=C2)OS(=O)(=O)O |
| InChIKey | JQFXYBUUBRTZSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) (CAS 316-23-4), with molecular formula C18H20O8S2 and molecular weight 428.06 g/mol. IUPAC: [4-[4-(4-sulfooxyphenyl)hex-3-en-3-yl]phenyl] hydrogen sulfate.
Chemical Property Profile of (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate)
Property Insights of (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate)
The XLogP value of 3.9 indicates that (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate)?
The CAS number of (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) is 316-23-4.
What is the molecular formula of (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate)?
The molecular formula of (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) is C18H20O8S2.
What is the molecular weight of (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate)?
The molecular weight of (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) is 428.06 g/mol.
Where can I buy (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate)?
You can request a quote for (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate)?
Yes, KEHONG BIO provides custom synthesis services for (E)-4,4'-(1,2-Diethylethylene)diphenyl bis(hydrogen sulphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.