Tert-butyl 4-methylphenyl sulfone
TL;DR: Tert-butyl 4-methylphenyl sulfone (CAS 57545-63-8) is a chemical compound with molecular formula C11H16O2S and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfonyl-4-methylbenzene
Also Known As: t-butyl p-tolyl sulfone, tert-Butyl p-Tolyl Sulfone, tert-butyl 4-methylphenyl sulfone, 1-(tert-Butylsulfonyl)-4-methylbenzene, tert-Butyl(4-methylphenyl) sulfone
| Molecular Formula | C11H16O2S |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.0871 |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 57545-63-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C)(C)C |
| InChIKey | BNOXKZIHCOIFLF-UHFFFAOYSA-N |
Product Overview
Tert-butyl 4-methylphenyl sulfone (CAS 57545-63-8), with molecular formula C11H16O2S and molecular weight 212.09 g/mol. IUPAC: 1-tert-butylsulfonyl-4-methylbenzene.
Chemical Property Profile of Tert-butyl 4-methylphenyl sulfone
Property Insights of Tert-butyl 4-methylphenyl sulfone
The XLogP value of 3.2 indicates that Tert-butyl 4-methylphenyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Tert-butyl 4-methylphenyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-methylphenyl 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 Tert-butyl 4-methylphenyl sulfone?
The CAS number of Tert-butyl 4-methylphenyl sulfone is 57545-63-8.
What is the molecular formula of Tert-butyl 4-methylphenyl sulfone?
The molecular formula of Tert-butyl 4-methylphenyl sulfone is C11H16O2S.
What is the molecular weight of Tert-butyl 4-methylphenyl sulfone?
The molecular weight of Tert-butyl 4-methylphenyl sulfone is 212.09 g/mol.
Where can I buy Tert-butyl 4-methylphenyl sulfone?
You can request a quote for Tert-butyl 4-methylphenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 4-methylphenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 4-methylphenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.