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Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]-
TL;DR: Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]- (CAS 1816-96-2) is a chemical compound with molecular formula C15H16O2S and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethyl-2-(4-methylphenyl)sulfonylbenzene
Also Known As: 2-(p-Tolyl-2,5-xylylsulfone), Sulfone, p-tolyl 2,5-xylyl, IFLab1_001260, (2,5-Dimethylphenyl)p-tolyl sulfone, 2,5,4'-trimethyldiphenyl sulfone
| Molecular Formula | C15H16O2S |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0871 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 1816-96-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)C)C |
| InChIKey | GKNGBKLNJPDXGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]- (CAS 1816-96-2), with molecular formula C15H16O2S and molecular weight 260.09 g/mol. IUPAC: 1,4-dimethyl-2-(4-methylphenyl)sulfonylbenzene.
Chemical Property Profile of Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]-
Property Insights of Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]-
The XLogP value of 3.8 indicates that Benzene, 1,4-dimethyl-2-[(4-methylphenyl)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, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,4-dimethyl-2-[(4-methylphenyl)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, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]-?
The CAS number of Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]- is 1816-96-2.
What is the molecular formula of Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]-?
The molecular formula of Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]- is C15H16O2S.
What is the molecular weight of Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]-?
The molecular weight of Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]- is 260.09 g/mol.
Where can I buy Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]-?
You can request a quote for Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,4-dimethyl-2-[(4-methylphenyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.