Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate)
TL;DR: Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate) (CAS 26839-70-3) is a chemical compound with molecular formula C29H28O6S2 and molecular weight 536.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2-[4-(4-methylphenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 4-methylbenzenesulfonate
Also Known As: 1,4-diazabicyclo[2.2.2]octane fumarate, J1.969.043A, propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate), [4-[2-[4-(4-methylphenyl)sulfonyloxyphenyl]propan-2-yl]pheny, [4-[2-[4-(4-methylphenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 4-methylbenzenesulfonate
| Molecular Formula | C29H28O6S2 |
|---|---|
| Molecular Weight | 536.13 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.13275 |
| Heavy Atoms | 37 |
| Complexity | 840.0 |
Chemical Identifiers
| CAS Number | 26839-70-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | UVLFPHLKARGVHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate) (CAS 26839-70-3), with molecular formula C29H28O6S2 and molecular weight 536.13 g/mol. IUPAC: [4-[2-[4-(4-methylphenyl)sulfonyloxyphenyl]propan-2-yl]phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate)
Property Insights of Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate)
The XLogP value of 7.6 indicates that Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate)?
The CAS number of Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate) is 26839-70-3.
What is the molecular formula of Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate)?
The molecular formula of Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate) is C29H28O6S2.
What is the molecular weight of Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate)?
The molecular weight of Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate) is 536.13 g/mol.
Where can I buy Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate)?
You can request a quote for Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Propane-2,2-diyldibenzene-4,1-diyl bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.