Diisobutyl sulfone
TL;DR: Diisobutyl sulfone (CAS 10495-45-1) is a chemical compound with molecular formula C8H18O2S and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(2-methylpropylsulfonyl)propane
Also Known As: Diisobutyl sulfone, Isobutyl sulfone, Diisobutylsulfone, Diisobutyl sulphone, (iso-C4H9)2SO2
| Molecular Formula | C8H18O2S |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.10275 |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 10495-45-1 |
|---|---|
| SMILES | CC(C)CS(=O)(=O)CC(C)C |
| InChIKey | ULSLZZKKTPQNNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisobutyl sulfone (CAS 10495-45-1), with molecular formula C8H18O2S and molecular weight 178.10 g/mol. IUPAC: 2-methyl-1-(2-methylpropylsulfonyl)propane.
Chemical Property Profile of Diisobutyl sulfone
Property Insights of Diisobutyl sulfone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisobutyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Diisobutyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisobutyl sulfone has 0 hydrogen bond donor(s) and 2 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 Diisobutyl sulfone?
The CAS number of Diisobutyl sulfone is 10495-45-1.
What is the molecular formula of Diisobutyl sulfone?
The molecular formula of Diisobutyl sulfone is C8H18O2S.
What is the molecular weight of Diisobutyl sulfone?
The molecular weight of Diisobutyl sulfone is 178.10 g/mol.
Where can I buy Diisobutyl sulfone?
You can request a quote for Diisobutyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisobutyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Diisobutyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.