CAS RN: 20780-76-1
5-Iodoisatin
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250610 | 100g | Out of stock | Inquiry | |
| Batchno.20250822 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260301 | 1g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20260602 | 25g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250509 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20250430 | 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-097787
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: 25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
20780-76-1 / 5-iodo-1H-indole-2,3-dione
Basic Information
CAS
20780-76-1
Multi CAS
No
Molecular Formula
C8H4INO2
Molecular Weight
273.030000
Exact Mass
272.928680
SMILES
C1=CC2=C(C=C1I)C(=O)C(=O)N2
InChI
InChI=1S/C8H4INO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey
OEUGDMOJQQLVAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.12
TPSA
46.17
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
1.5
Consensus LogP
1.4
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-3.37
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
