CAS RN: 20919-42-0
N-Iodophthalimide
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock3 grade groups
- Product code: SSC-098858
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
20919-42-0 / 2-iodoisoindole-1,3-dione
Basic Information
CAS
20919-42-0
Multi CAS
No
Molecular Formula
C8H4INO2
Molecular Weight
273.030000
Exact Mass
272.928680
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)I
InChI
InChI=1S/C8H4INO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H
InChIKey
ISZGNNPTDCJIIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
50.96
TPSA
37.38
LogP / Solubility
WLOGP
1.63
MLOGP
1.45
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-3.23
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
