CAS RN: 56530-39-3
N-(p-Toluenesulfonyloxy)phthalimide
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.20260119 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS56530-39-3
- Purity/Analytical Methods: >99.0%
56530-39-3 / (1,3-dioxoisoindol-2-yl) 4-methylbenzenesulfonate
Basic Information
CAS
56530-39-3
Multi CAS
No
Molecular Formula
C15H11NO5S
Molecular Weight
317.300000
Exact Mass
317.035794
InChI
InChI=1S/C15H11NO5S/c1-10-6-8-11(9-7-10)22(19,20)21-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3
InChIKey
MMZCYVBYIOUFEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
76.39
TPSA
80.75
LogP / Solubility
WLOGP
1.91
MLOGP
1.7
XLogP3
2.4
Consensus LogP
2
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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