1,1-Bis(methylsulfonyl)pentane
TL;DR: 1,1-Bis(methylsulfonyl)pentane (CAS 71420-37-6) is a chemical compound with molecular formula C7H16O4S2 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(methylsulfonyl)pentane
Also Known As: 1,1-bis(methylsulfonyl)pentane, Pentane,1,1-bis(methylsulfonyl)-, 1,1-Di(methanesulfonyl)pentane, KST-1B7941, 3-Cyan-3-hydroxy-buttersaeure-aethylester
| Molecular Formula | C7H16O4S2 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.049 |
| Heavy Atoms | 13 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 71420-37-6 |
|---|---|
| SMILES | CCCCC(S(=O)(=O)C)S(=O)(=O)C |
| InChIKey | NZHDJFJYVVYBEJ-UHFFFAOYSA-N |
Product Overview
1,1-Bis(methylsulfonyl)pentane (CAS 71420-37-6), with molecular formula C7H16O4S2 and molecular weight 228.05 g/mol. IUPAC: 1,1-bis(methylsulfonyl)pentane.
Chemical Property Profile of 1,1-Bis(methylsulfonyl)pentane
Property Insights of 1,1-Bis(methylsulfonyl)pentane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis(methylsulfonyl)pentane. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Bis(methylsulfonyl)pentane. Following Lipinski's Rule of Five, 1,1-Bis(methylsulfonyl)pentane 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 1,1-Bis(methylsulfonyl)pentane?
The CAS number of 1,1-Bis(methylsulfonyl)pentane is 71420-37-6.
What is the molecular formula of 1,1-Bis(methylsulfonyl)pentane?
The molecular formula of 1,1-Bis(methylsulfonyl)pentane is C7H16O4S2.
What is the molecular weight of 1,1-Bis(methylsulfonyl)pentane?
The molecular weight of 1,1-Bis(methylsulfonyl)pentane is 228.05 g/mol.
Where can I buy 1,1-Bis(methylsulfonyl)pentane?
You can request a quote for 1,1-Bis(methylsulfonyl)pentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(methylsulfonyl)pentane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(methylsulfonyl)pentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.