1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane
TL;DR: 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane (CAS 40630-22-6) is a chemical compound with molecular formula C5H3F9O2S and molecular weight 297.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,2,3,3,4,4-nonafluoro-4-methylsulfonylbutane
Also Known As: 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-methylsulfonylbutane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-(methylsulfonyl)butane, BUTANE,1,1,1,2,2,3,3,4,4-NONAFLUORO-4-(METHYLSULFONYL)-, RefChem:212664
| Molecular Formula | C5H3F9O2S |
|---|---|
| Molecular Weight | 297.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.971 |
| Heavy Atoms | 17 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 40630-22-6 |
|---|---|
| SMILES | CS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | UEVZLRBJDKYWDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane (CAS 40630-22-6), with molecular formula C5H3F9O2S and molecular weight 297.97 g/mol. IUPAC: 1,1,1,2,2,3,3,4,4-nonafluoro-4-methylsulfonylbutane.
Chemical Property Profile of 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane
Property Insights of 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane. With a topological polar surface area (TPSA) of 42.5 Ų, 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane?
The CAS number of 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane is 40630-22-6.
What is the molecular formula of 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane?
The molecular formula of 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane is C5H3F9O2S.
What is the molecular weight of 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane?
The molecular weight of 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane is 297.97 g/mol.
Where can I buy 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane?
You can request a quote for 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2,2,3,3,4,4-Nonafluoro-4-(methanesulfonyl)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.