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: 1g, 5g, 25g, 100g, 10g, 0.25g, 500g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 25g | >97% | 5 In Stock | Beijing | Inquiry |
| 100g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 500g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
624-75-9 / 2-iodoacetonitrile
Basic Information
CAS
624-75-9
Multi CAS
Yes
Molecular Formula
C2H2In
Molecular Weight
166.950000
Exact Mass
166.923200
InChI
InChI=1S/C2H2IN/c3-1-2-4/h1H2
InChIKey
VODKOOOHHCAWFR-UHFFFAOYSA-N
Physical Properties
Physical Description
Dark amber liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
4
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
24.5
TPSA
23.79
LogP / Solubility
WLOGP
0.94
MLOGP
0.83
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.07
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
1
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