1,4-Bis(methylsulfonyl)butane
TL;DR: 1,4-Bis(methylsulfonyl)butane (CAS 90735-61-8) is a chemical compound with molecular formula C6H14O4S2 and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(methylsulfonyl)butane
Also Known As: 1,4-bis(methylsulfonyl)butane, 1,4-Di(methanesulfonyl)butane, KST-1B9160, N/A
| Molecular Formula | C6H14O4S2 |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.03336 |
| Heavy Atoms | 12 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 90735-61-8 |
|---|---|
| SMILES | CS(=O)(=O)CCCCS(=O)(=O)C |
| InChIKey | PBIMIEGCHKDDMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Bis(methylsulfonyl)butane (CAS 90735-61-8), with molecular formula C6H14O4S2 and molecular weight 214.03 g/mol. IUPAC: 1,4-bis(methylsulfonyl)butane.
Chemical Property Profile of 1,4-Bis(methylsulfonyl)butane
Property Insights of 1,4-Bis(methylsulfonyl)butane
The XLogP value of -0.3 indicates that 1,4-Bis(methylsulfonyl)butane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Bis(methylsulfonyl)butane. Following Lipinski's Rule of Five, 1,4-Bis(methylsulfonyl)butane has 0 hydrogen bond donor(s) and 4 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(methylsulfonyl)butane?
The CAS number of 1,4-Bis(methylsulfonyl)butane is 90735-61-8.
What is the molecular formula of 1,4-Bis(methylsulfonyl)butane?
The molecular formula of 1,4-Bis(methylsulfonyl)butane is C6H14O4S2.
What is the molecular weight of 1,4-Bis(methylsulfonyl)butane?
The molecular weight of 1,4-Bis(methylsulfonyl)butane is 214.03 g/mol.
Where can I buy 1,4-Bis(methylsulfonyl)butane?
You can request a quote for 1,4-Bis(methylsulfonyl)butane 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(methylsulfonyl)butane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(methylsulfonyl)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.