Dibutyl sulfone
TL;DR: Dibutyl sulfone (CAS 598-04-9) 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.
1-butylsulfonylbutane
Also Known As: Dibutyl sulfone, Butyl sulfone, Di-n-butyl sulfone, Di-n-butylsulfone, n-Butyl sulfone
| Molecular Formula | C8H18O2S |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.10275 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 598-04-9 |
|---|---|
| SMILES | CCCCS(=O)(=O)CCCC |
| InChIKey | AIDFJGKWTOULTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl sulfone (CAS 598-04-9), with molecular formula C8H18O2S and molecular weight 178.10 g/mol. IUPAC: 1-butylsulfonylbutane.
Chemical Property Profile of Dibutyl sulfone
Property Insights of Dibutyl sulfone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Dibutyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl 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 Dibutyl sulfone?
The CAS number of Dibutyl sulfone is 598-04-9.
What is the molecular formula of Dibutyl sulfone?
The molecular formula of Dibutyl sulfone is C8H18O2S.
What is the molecular weight of Dibutyl sulfone?
The molecular weight of Dibutyl sulfone is 178.10 g/mol.
Where can I buy Dibutyl sulfone?
You can request a quote for Dibutyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.