CAS RN: 91978-69-7
Potassium p-Tolyl Sulfate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260201 | 200mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTP2091
- Purity/Analytical Methods: >98.0%(T)(HPLC)
91978-69-7 / potassium (4-methylphenyl) sulfate
Basic Information
CAS
91978-69-7
Multi CAS
Yes
Molecular Formula
C7H7KO4S
Molecular Weight
226.290000
Exact Mass
225.970211
InChI
InChI=1S/C7H8O4S.K/c1-6-2-4-7(5-3-6)11-12(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
InChIKey
HTSFIPMTBJHYFQ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
41.5
TPSA
66.43
LogP / Solubility
WLOGP
-2.16
MLOGP
-1.9
XLogP3
-2.16
Consensus LogP
-2.07
Log S (ESOL)
-0.09
Class (ESOL)
Very soluble
Log S (Ali)
0.15
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.42
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
