CAS RN: 1010100-27-2
2-(2,6-Dioxo-piperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindole-5-carbonitrile
- Product code: SSC-001864
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 1 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 5g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 10g | -- | 0 Out of Stock | Beijing | Inquiry |
| 10g | >97% | 0 Out of Stock | Shanghai | Inquiry |
1010100-27-2 / 2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonitrile
2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindoline-5-carbonitrile | MFCD31583058 | 2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindoline-5-carbonitrile
Basic Information
CAS
1010100-27-2
Multi CAS
No
Molecular Formula
C14H11N3O3
Molecular Weight
269.250000
Exact Mass
269.080041
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)C#N
InChI
InChI=1S/C14H11N3O3/c15-6-8-1-2-10-9(5-8)7-17(14(10)20)11-3-4-12(18)16-13(11)19/h1-2,5,11H,3-4,7H2,(H,16,18,19)
InChIKey
NYVGCNSACSJVJQ-UHFFFAOYSA-N
Synonyms
2-(2,6-dioxopiperidin-3-yl)-1-oxoisoindoline-5-carbonitrile
MFCD31583058
2-(2,6-dioxo-3-piperidyl)-1-oxo-isoindoline-5-carbonitrile
2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindole-5-carbonitrile
SCHEMBL1413817
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.2
TPSA
90.27
LogP / Solubility
WLOGP
0.32
MLOGP
0.29
XLogP3
-0.1
Consensus LogP
0.17
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.14
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
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