CAS RN: 2631-77-8
3,5-Diiodosalicylaldehyde
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-123684
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, 100g, 10g, 25g, 1g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 4 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 3 In Stock | Shanghai | Inquiry |
| 25g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
2631-77-8 / 2-hydroxy-3,5-diiodobenzaldehyde
Basic Information
CAS
2631-77-8
Multi CAS
No
Molecular Formula
C7H4I2O2
Molecular Weight
373.910000
Exact Mass
373.830070
SMILES
C1=C(C=C(C(=C1C=O)O)I)I
InChI
InChI=1S/C7H4I2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey
MYWSBJKVOUZCIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.93
TPSA
37.3
LogP / Solubility
WLOGP
2.41
MLOGP
2.15
XLogP3
2.9
Consensus LogP
2.49
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
