Di-3,4-xylyl sulfone
TL;DR: Di-3,4-xylyl sulfone (CAS 28361-43-5) is a chemical compound with molecular formula C16H18O2S and molecular weight 274.10275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
Also Known As: Di-3,4-xylyl sulfone, 3,4-Xylyl sulfone, Di-3,4-xylyl sulphone, 4,4'-Sulfonylbis(1,2-dimethylbenzene), 1,1'-SULFONYLBIS(3,4-DIMETHYLBENZENE)
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H18O2S |
| Molecular Weight | 274.10275 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.10275 Da |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C)C)C |
| InChIKey | ZSIACQWHDVUCHB-UHFFFAOYSA-N |
Chemical Property Profile of Di-3,4-xylyl sulfone
Property Insights of Di-3,4-xylyl sulfone
The XLogP value of 4.2 indicates that Di-3,4-xylyl 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, Di-3,4-xylyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-3,4-xylyl 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
What is the CAS number of Di-3,4-xylyl sulfone?
The CAS number of Di-3,4-xylyl sulfone is 28361-43-5.
What is the molecular formula of Di-3,4-xylyl sulfone?
The molecular formula of Di-3,4-xylyl sulfone is C16H18O2S.
What is the molecular weight of Di-3,4-xylyl sulfone?
The molecular weight of Di-3,4-xylyl sulfone is 274.10275 g/mol.
Where can I buy Di-3,4-xylyl sulfone?
You can request a quote for Di-3,4-xylyl sulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Di-3,4-xylyl sulfone?
Yes, CoreyChem provides custom synthesis services for Di-3,4-xylyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.