8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid
TL;DR: 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid (CAS 115787-82-1) is a chemical compound with molecular formula C20H16O11S3 and molecular weight 527.9855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-butanoyloxypyrene-1,3,6-trisulfonic acid
Also Known As: 8-butanoyloxypyrene-1,3,6-trisulfonic Acid, 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid, 8-(Butyryloxy)pyrene-1,3,6-trisulfonicacid, 8-(butanoyloxy)pyrene-1,3,6-trisulfonic acid
Technical Specifications
| Molecular Formula | C20H16O11S3 |
| Molecular Weight | 527.9855 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 215.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.9855 Da |
| Heavy Atoms | 34 |
| Complexity | 1110.0 |
| SMILES | CCCC(=O)OC1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | RZVJDMGRXDQGLN-UHFFFAOYSA-N |
Chemical Property Profile of 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid
Property Insights of 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid. The TPSA of 215.0 Ų indicates high polarity, suggesting 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid has 3 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 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid?
The CAS number of 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid is 115787-82-1.
What is the molecular formula of 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid?
The molecular formula of 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid is C20H16O11S3.
What is the molecular weight of 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid?
The molecular weight of 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid is 527.9855 g/mol.
Where can I buy 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid?
You can request a quote for 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid?
Yes, CoreyChem provides custom synthesis services for 8-(Butyryloxy)pyrene-1,3,6-trisulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.