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Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]-
TL;DR: Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- (CAS 54897-33-5) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(2-phenylethenylsulfonyl)benzene
Also Known As: 1-tosyl-2-phenylethylene, 4-methylphenyl 2-phenylvinyl sulfone, 1-methyl-4-(2-phenylethenylsulfonyl)benzene, (Z)-1-Methyl-4-(2-phenylethenyl)sulphonylbenzene, Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]-
| Molecular Formula | C15H14O2S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.07144 |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 54897-33-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C=CC2=CC=CC=C2 |
| InChIKey | PIALZYNUNCIZLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- (CAS 54897-33-5), with molecular formula C15H14O2S and molecular weight 258.07 g/mol. IUPAC: 1-methyl-4-(2-phenylethenylsulfonyl)benzene.
Chemical Property Profile of Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]-
Property Insights of Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]-
The XLogP value of 3.5 indicates that Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- 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-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- 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-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]-?
The CAS number of Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- is 54897-33-5.
What is the molecular formula of Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]-?
The molecular formula of Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- is C15H14O2S.
What is the molecular weight of Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]-?
The molecular weight of Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- is 258.07 g/mol.
Where can I buy Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]-?
You can request a quote for Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene,1-methyl-4-[[(1E)-2-phenylethenyl]sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.