1,4-Bis(benzenesulfonyloxy)benzene
TL;DR: 1,4-Bis(benzenesulfonyloxy)benzene (CAS 3840-05-9) is a chemical compound with molecular formula C18H14O6S2 and molecular weight 390.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzenesulfonyloxy)phenyl] benzenesulfonate
Also Known As: 1,4-bis(benzenesulfonyloxy)benzene, 1,4-Phenylene dibenzenesulfonate, 1,4-bis(phenylsulfonyloxy)benzene, [4-(benzenesulfonyloxy)phenyl] benzenesulfonate, 4-[(BENZENESULFONYL)OXY]PHENYL BENZENESULFONATE
| Molecular Formula | C18H14O6S2 |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.0232 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 3840-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3 |
| InChIKey | YABVILCILGOKJI-UHFFFAOYSA-N |
Product Overview
1,4-Bis(benzenesulfonyloxy)benzene (CAS 3840-05-9), with molecular formula C18H14O6S2 and molecular weight 390.02 g/mol. IUPAC: [4-(benzenesulfonyloxy)phenyl] benzenesulfonate.
Chemical Property Profile of 1,4-Bis(benzenesulfonyloxy)benzene
Property Insights of 1,4-Bis(benzenesulfonyloxy)benzene
The XLogP value of 4.2 indicates that 1,4-Bis(benzenesulfonyloxy)benzene 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 1,4-Bis(benzenesulfonyloxy)benzene. Following Lipinski's Rule of Five, 1,4-Bis(benzenesulfonyloxy)benzene has 0 hydrogen bond donor(s) and 6 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 1,4-Bis(benzenesulfonyloxy)benzene?
The CAS number of 1,4-Bis(benzenesulfonyloxy)benzene is 3840-05-9.
What is the molecular formula of 1,4-Bis(benzenesulfonyloxy)benzene?
The molecular formula of 1,4-Bis(benzenesulfonyloxy)benzene is C18H14O6S2.
What is the molecular weight of 1,4-Bis(benzenesulfonyloxy)benzene?
The molecular weight of 1,4-Bis(benzenesulfonyloxy)benzene is 390.02 g/mol.
Where can I buy 1,4-Bis(benzenesulfonyloxy)benzene?
You can request a quote for 1,4-Bis(benzenesulfonyloxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(benzenesulfonyloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(benzenesulfonyloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.