1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene
TL;DR: 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene (CAS 113269-46-8) is a chemical compound with molecular formula C13H9Cl3O2S and molecular weight 333.93887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene
Also Known As: propynyl magnesium bromide, 1,4-dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene, 2,2',5-trichloro-4-(methylsulfonyl)biphenyl, 1,1'-Biphenyl,2,2',5-trichloro-4-(methylsulfonyl)-, 2,2',5-Trichloro-4-(methanesulfonyl)-1,1'-biphenyl
Technical Specifications
| Molecular Formula | C13H9Cl3O2S |
| Molecular Weight | 333.93887 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.93887 Da |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
| SMILES | CS(=O)(=O)C1=C(C=C(C(=C1)Cl)C2=CC=CC=C2Cl)Cl |
| InChIKey | OYKYEWKEWQQJMN-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene
Property Insights of 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene
The XLogP value of 4.7 indicates that 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene 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 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene?
The CAS number of 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene is 113269-46-8.
What is the molecular formula of 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene?
The molecular formula of 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene is C13H9Cl3O2S.
What is the molecular weight of 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene?
The molecular weight of 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene is 333.93887 g/mol.
Where can I buy 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene?
You can request a quote for 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene?
Yes, CoreyChem provides custom synthesis services for 1,4-Dichloro-2-(2-chlorophenyl)-5-methylsulfonylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.