| CAS No. | 151481-52-6 |
|---|---|
| MDL No. | N/A |
| MF | C9H8O7S |
| MW | 260.22 |
| InChI Key | VWQNTRNACRFUCQ-DUXPYHPUSA-N |
| Pack Size | Purity | Price | Availability | Action |
|---|---|---|---|---|
| - | - | On Request | On Request | |
| Custom synthesis and bulk supply options are available upon request. | ||||
Caffeic acid 3-sulfate is an aryl sulfate derived from trans-caffeic acid, where the phenolic hydrogen at position 3 is replaced by a sulfo group. It is a metabolite of coffee, functioning as a human xenobiotic, blood serum, and urinary metabolite. It is a monohydroxycinnamic acid and an aryl sulfate, and is functionally related to trans-caffeic acid. It is the conjugate acid of caffeic acid 3-sulfate(2-).
| CAS No. | 151481-52-6 |
|---|---|
| Product Name | Caffeic acid 3-sulfate |
| Heavy Atom Count | 17 | Rotatable Bond Count | 4 |
| Atom Stereo Count | 0 | Bond Stereo Count | 1 |
| HBA | 5 | HBD | 3 |
| TPSA | 121.130 Ų | Charge | 0 |
| Exact Mass | 259.99907 | Complexity | 558.71 |
| pKa | 3.345 | XLogP | 0.672 |
