Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-
TL;DR: Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- (CAS 101431-40-7) is a chemical compound with molecular formula C16H18O2S and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-4-tert-butylbenzene
Also Known As: 1-(benzenesulfonyl)-4-tert-butylbenzene, 4-tert-Butylphenylphenyl sulfone, (4-tert-Butylphenyl)phenyl sulfone, Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-, 1-(t-butyl)-4-(phenylsulfonyl)benzene
| Molecular Formula | C16H18O2S |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.10275 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 101431-40-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | AZICHRGEWDKLBL-UHFFFAOYSA-N |
Product Overview
Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- (CAS 101431-40-7), with molecular formula C16H18O2S and molecular weight 274.10 g/mol. IUPAC: 1-(benzenesulfonyl)-4-tert-butylbenzene.
Chemical Property Profile of Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-
Property Insights of Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-
The XLogP value of 4.1 indicates that Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- 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 Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-?
The CAS number of Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- is 101431-40-7.
What is the molecular formula of Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-?
The molecular formula of Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- is C16H18O2S.
What is the molecular weight of Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-?
The molecular weight of Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- is 274.10 g/mol.
Where can I buy Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-?
You can request a quote for Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1,1-dimethylethyl)-4-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.