3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)
TL;DR: 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate) (CAS 42749-27-9) is a chemical compound with molecular formula C24H34O10S2 and molecular weight 546.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Also Known As: Pentaethylene glycol di(p-toluenesulfonate), Tos-PEG6-Tos, Tos-PEG5-Tos, Pentaethylene glycol ditosylate, Pentaethylene glycol di-p-toluenesulfonate
| Molecular Formula | C24H34O10S2 |
|---|---|
| Molecular Weight | 546.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 546.15936 |
| Heavy Atoms | 36 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 42749-27-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | BUHGDYPBQWWWQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate) (CAS 42749-27-9), with molecular formula C24H34O10S2 and molecular weight 546.16 g/mol. IUPAC: 2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)
Property Insights of 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate). The TPSA of 140.0 Ų indicates high polarity, suggesting 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate) has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)?
The CAS number of 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate) is 42749-27-9.
What is the molecular formula of 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)?
The molecular formula of 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate) is C24H34O10S2.
What is the molecular weight of 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)?
The molecular weight of 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate) is 546.16 g/mol.
Where can I buy 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)?
You can request a quote for 3,6,9,12-Tetraoxatetradecane-1,14-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 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.