1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide)
TL;DR: 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide) (CAS 127044-62-6) is a chemical compound with molecular formula C24H27N3O8S3 and molecular weight 581.096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] acetate
Also Known As: [3,6,8-tris(dimethylsulfamoyl)pyren-1-yl] Acetate|1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide)|8-Acetoxy-N,N,N',N',N'',N''-hexamethylpyrene-1,3,6-trisulfonamide|8-Acetoxy-N,N,N',N',N",N"-hexamethylpyrene-1,3,6-trisulfonamide|631-383-8
Technical Specifications
| Molecular Formula | C24H27N3O8S3 |
| Molecular Weight | 581.096 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 581.096 Da |
| Heavy Atoms | 38 |
| Complexity | 1230.0 |
| SMILES | CC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C)S(=O)(=O)N(C)C |
| InChIKey | VQNRRBGKSXXSFH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide)
Property Insights of 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide). The TPSA of 164.0 Ų indicates high polarity, suggesting 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide) has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide)?
The CAS number of 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide) is 127044-62-6.
What is the molecular formula of 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide)?
The molecular formula of 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide) is C24H27N3O8S3.
What is the molecular weight of 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide)?
The molecular weight of 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide) is 581.096 g/mol.
Where can I buy 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide)?
You can request a quote for 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide)?
Yes, CoreyChem provides custom synthesis services for 1-Acetoxypyrene-3,6,8-tris(dimethylsulfonamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.