Sulfone, hexyl phenyl
TL;DR: Sulfone, hexyl phenyl (CAS 16823-63-5) is a chemical compound with molecular formula C12H18O2S and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexylsulfonylbenzene
Also Known As: Sulfone, hexyl phenyl, Hexylsulfonylbenzene, Phenylhexyl sulfone, Hexylphenyl sulfone, phenyl hexyl sulfone
| Molecular Formula | C12H18O2S |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.10275 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 16823-63-5 |
|---|---|
| SMILES | CCCCCCS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | WLKBHXLSBDSEBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfone, hexyl phenyl (CAS 16823-63-5), with molecular formula C12H18O2S and molecular weight 226.10 g/mol. IUPAC: hexylsulfonylbenzene.
Chemical Property Profile of Sulfone, hexyl phenyl
Property Insights of Sulfone, hexyl phenyl
The XLogP value of 3.5 indicates that Sulfone, hexyl phenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Sulfone, hexyl phenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfone, hexyl phenyl 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, hexyl phenyl?
The CAS number of Sulfone, hexyl phenyl is 16823-63-5.
What is the molecular formula of Sulfone, hexyl phenyl?
The molecular formula of Sulfone, hexyl phenyl is C12H18O2S.
What is the molecular weight of Sulfone, hexyl phenyl?
The molecular weight of Sulfone, hexyl phenyl is 226.10 g/mol.
Where can I buy Sulfone, hexyl phenyl?
You can request a quote for Sulfone, hexyl phenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfone, hexyl phenyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfone, hexyl phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.