![CAS 2225940-50-9 Heptanoic acid, 7-[[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/2023/05/2225940-50-9.gif)
CAS RN: 2225940-50-9
Heptanoic acid, 7-[[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 stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250316 | 5mg / 25mg / 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-107279
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2225940-50-9 / 7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptanoic acid
Basic Information
CAS
2225940-50-9
Multi CAS
No
Molecular Formula
C20H23N3O6
Molecular Weight
401.400000
Exact Mass
401.158685
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCCCC(=O)O
InChI
InChI=1S/C20H23N3O6/c24-15-10-9-14(18(27)22-15)23-19(28)12-6-5-7-13(17(12)20(23)29)21-11-4-2-1-3-8-16(25)26/h5-7,14,21H,1-4,8-11H2,(H,25,26)(H,22,24,27)
InChIKey
USOIUAJFCJMMOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
3
Molar refractivity
102.32
TPSA
132.88
LogP / Solubility
WLOGP
1.53
MLOGP
1.37
XLogP3
2
Consensus LogP
1.63
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.62
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)
-4.08
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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