CAS RN: 926624-47-7
tert-butyl 1-oxoisoindoline-2-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251230 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS926624-47-7
- Purity/Analytical Methods: >99.0%
926624-47-7 / tert-butyl 3-oxo-1H-isoindole-2-carboxylate
Basic Information
CAS
926624-47-7
Multi CAS
No
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
InChI
InChI=1S/C13H15NO3/c1-13(2,3)17-12(16)14-8-9-6-4-5-7-10(9)11(14)15/h4-7H,8H2,1-3H3
InChIKey
CJRVYNFBPKVLCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
62.55
TPSA
46.61
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.1
Consensus LogP
2.32
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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