butane ditosylate
TL;DR: butane ditosylate (CAS 4724-56-5) is a chemical compound with molecular formula C18H22O6S2 and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate
Also Known As: butane ditosylate, 1,4-bis(tosyloxy)butane, 1,4-butanediol ditosylate, Bis(tosyl)-1,4-butanediol, butane-1,4-diyl bis(4-methylbenzenesulfonate)
| Molecular Formula | C18H22O6S2 |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 398.0858 |
| Heavy Atoms | 26 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 4724-56-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCCOS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | FSQYJJHVABILHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
butane ditosylate (CAS 4724-56-5), with molecular formula C18H22O6S2 and molecular weight 398.09 g/mol. IUPAC: 4-(4-methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate.
Chemical Property Profile of butane ditosylate
Property Insights of butane ditosylate
The XLogP value of 3.6 indicates that butane ditosylate 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 butane ditosylate. Following Lipinski's Rule of Five, butane ditosylate 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 butane ditosylate?
The CAS number of butane ditosylate is 4724-56-5.
What is the molecular formula of butane ditosylate?
The molecular formula of butane ditosylate is C18H22O6S2.
What is the molecular weight of butane ditosylate?
The molecular weight of butane ditosylate is 398.09 g/mol.
Where can I buy butane ditosylate?
You can request a quote for butane ditosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butane ditosylate?
Yes, KEHONG BIO provides custom synthesis services for butane ditosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.