CAS RN: 6297-93-4
tert-Butyl 2-(1,3-dioxoisoindolin-2-yl)acetate
- Product code: SSC-172424
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 10g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
6297-93-4 / tert-butyl 2-(1,3-dioxoisoindol-2-yl)acetate
Basic Information
CAS
6297-93-4
Multi CAS
Yes
Molecular Formula
C14H15NO4
Molecular Weight
261.270000
Exact Mass
261.100108
InChI
InChI=1S/C14H15NO4/c1-14(2,3)19-11(16)8-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7H,8H2,1-3H3
InChIKey
LAFNOENFXFPJKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
67.65
TPSA
63.68
LogP / Solubility
WLOGP
1.62
MLOGP
1.44
XLogP3
2.2
Consensus LogP
1.75
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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