CAS RN: 1444-94-6
Hexahydrophthalimide
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251201 | 25g / 100g / 500g / 2.5kg | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: SSC-055638
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: 5g, 10g, 100g, 25g, 500g
- Available purity: >97%
- Inventory rows with stock: 5
- 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.
1444-94-6 / 3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Basic Information
CAS
1444-94-6
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
C1CCC2C(C1)C(=O)NC2=O
InChI
InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)
InChIKey
WLDMPODMCFGWAA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.6
TPSA
46.17
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
XLogP3
0.6
Consensus LogP
0.48
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
