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, 0.25g, 1g, 10g, 25g, 100g
- Available purity: >98%
- 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 | >98% | 4 In Stock | Beijing | Inquiry |
| 0.25g | >98% | 2 In Stock | Shanghai | Inquiry |
| 1g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 2 In Stock | Shanghai | Inquiry |
| 25g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 0 Out of Stock | Shanghai | Inquiry |
851386-34-0 / 2,3-difluoro-4-iodopyridine
Basic Information
CAS
851386-34-0
Multi CAS
No
Molecular Formula
C5F2H2In
Molecular Weight
240.980000
Exact Mass
240.920000
InChI
InChI=1S/C5H2F2IN/c6-4-3(8)1-2-9-5(4)7/h1-2H
InChIKey
AIXBVJWFQNYGJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
36.87
TPSA
12.89
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
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
