Diethylene glycol ditosylate
TL;DR: Diethylene glycol ditosylate (CAS 7460-82-4) is a chemical compound with molecular formula C18H22O7S2 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate
Also Known As: Diethylene Glycol Bis(p-toluenesulfonate), Diethylene glycol ditosylate, Tos-PEG3-Tos, Diethylene glycol di(p-toluenesulfonate), Oxybis(ethane-2,1-diyl) bis(4-methylbenzenesulfonate)
| Molecular Formula | C18H22O7S2 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 414.0807 |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 7460-82-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | VYVPNTJBGPQTFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethylene glycol ditosylate (CAS 7460-82-4), with molecular formula C18H22O7S2 and molecular weight 414.08 g/mol. IUPAC: 2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of Diethylene glycol ditosylate
Property Insights of Diethylene glycol ditosylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylene glycol ditosylate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethylene glycol ditosylate. Following Lipinski's Rule of Five, Diethylene glycol ditosylate has 0 hydrogen bond donor(s) and 7 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 Diethylene glycol ditosylate?
The CAS number of Diethylene glycol ditosylate is 7460-82-4.
What is the molecular formula of Diethylene glycol ditosylate?
The molecular formula of Diethylene glycol ditosylate is C18H22O7S2.
What is the molecular weight of Diethylene glycol ditosylate?
The molecular weight of Diethylene glycol ditosylate is 414.08 g/mol.
Where can I buy Diethylene glycol ditosylate?
You can request a quote for Diethylene glycol ditosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylene glycol ditosylate?
Yes, KEHONG BIO provides custom synthesis services for Diethylene glycol ditosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.