Sulfone, butyl isopropyl
TL;DR: Sulfone, butyl isopropyl (CAS 31124-40-0) is a chemical compound with molecular formula C7H16O2S and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-propan-2-ylsulfonylbutane
Also Known As: Sulfone, butyl isopropyl, Butylisopropyl sulfone, 1-(Isopropylsulfonyl)butane, 1-propan-2-ylsulfonylbutane, 1-(propane-2-sulfonyl)butane
| Molecular Formula | C7H16O2S |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.0871 |
| Heavy Atoms | 10 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 31124-40-0 |
|---|---|
| SMILES | CCCCS(=O)(=O)C(C)C |
| InChIKey | GHWLXARFRZMOHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfone, butyl isopropyl (CAS 31124-40-0), with molecular formula C7H16O2S and molecular weight 164.09 g/mol. IUPAC: 1-propan-2-ylsulfonylbutane.
Chemical Property Profile of Sulfone, butyl isopropyl
Property Insights of Sulfone, butyl isopropyl
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfone, butyl isopropyl. With a topological polar surface area (TPSA) of 42.5 Ų, Sulfone, butyl isopropyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfone, butyl isopropyl 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 Sulfone, butyl isopropyl?
The CAS number of Sulfone, butyl isopropyl is 31124-40-0.
What is the molecular formula of Sulfone, butyl isopropyl?
The molecular formula of Sulfone, butyl isopropyl is C7H16O2S.
What is the molecular weight of Sulfone, butyl isopropyl?
The molecular weight of Sulfone, butyl isopropyl is 164.09 g/mol.
Where can I buy Sulfone, butyl isopropyl?
You can request a quote for Sulfone, butyl isopropyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfone, butyl isopropyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfone, butyl isopropyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.