![CAS 2225940-51-0 Octanoic acid, 8-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2225940-51-0.gif)
CAS RN: 2225940-51-0
Octanoic acid, 8-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]amino]-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260207 | 100mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250617 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250914 | 250mg | In stock | Shenzhen | Inquiry | |
| Batchno.20250325 | 25mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250331 | 50mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: SSC-107280
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
- Available purity: >98%
- Inventory rows with stock: 2
- 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.
2225940-51-0 / 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoic acid
Basic Information
CAS
2225940-51-0
Multi CAS
No
Molecular Formula
C21H25N3O6
Molecular Weight
415.400000
Exact Mass
415.174336
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCCC(=O)O
InChI
InChI=1S/C21H25N3O6/c25-16-11-10-15(19(28)23-16)24-20(29)13-7-6-8-14(18(13)21(24)30)22-12-5-3-1-2-4-9-17(26)27/h6-8,15,22H,1-5,9-12H2,(H,26,27)(H,23,25,28)
InChIKey
IJDAOSIFULSGHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.48
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
3
Molar refractivity
106.94
TPSA
132.88
LogP / Solubility
WLOGP
1.92
MLOGP
1.72
XLogP3
2.5
Consensus LogP
2.05
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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