Phenyl t-butyl sulfone
TL;DR: Phenyl t-butyl sulfone (CAS 4170-72-3) is a chemical compound with molecular formula C10H14O2S and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylsulfonylbenzene
Also Known As: Phenyl t-butyl sulfone, (tert-butylsulfonyl)benzene, t-butyl phenyl sulfone, Phenyl tert-butylsulfone, tert-Butylphenyl sulfone
| Molecular Formula | C10H14O2S |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.07146 |
| Heavy Atoms | 13 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 4170-72-3 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | LGMGPNAOZRUYCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl t-butyl sulfone (CAS 4170-72-3), with molecular formula C10H14O2S and molecular weight 198.07 g/mol. IUPAC: tert-butylsulfonylbenzene.
Chemical Property Profile of Phenyl t-butyl sulfone
Property Insights of Phenyl t-butyl sulfone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl t-butyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Phenyl t-butyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl t-butyl 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 Phenyl t-butyl sulfone?
The CAS number of Phenyl t-butyl sulfone is 4170-72-3.
What is the molecular formula of Phenyl t-butyl sulfone?
The molecular formula of Phenyl t-butyl sulfone is C10H14O2S.
What is the molecular weight of Phenyl t-butyl sulfone?
The molecular weight of Phenyl t-butyl sulfone is 198.07 g/mol.
Where can I buy Phenyl t-butyl sulfone?
You can request a quote for Phenyl t-butyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl t-butyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl t-butyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.