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, 10g, 25g, 100g, 500g
- Available purity: >98%
- Inventory rows with stock: 2
- 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 | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | >98% | 3 In Stock | Hong Kong | Inquiry |
| 10g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
700-16-3 / 2,3,4,5,6-pentafluoropyridine
Basic Information
CAS
700-16-3
Multi CAS
Yes
Molecular Formula
C5F5N
Molecular Weight
169.050000
Exact Mass
168.995090
InChI
InChI=1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
XTGOWLIKIQLYRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
24.03
TPSA
12.89
LogP / Solubility
WLOGP
1.78
MLOGP
1.56
XLogP3
2
Consensus LogP
1.78
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.49
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
1.5
