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: 10g, 100g, 25g, discontinued
- 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 |
|---|---|---|---|---|
| 10g | -- | 2 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 100g | -- | 2 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 25g | -- | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Shanghai | Inquiry |
| discontinued | -- | 0 Out of Stock | Beijing | Inquiry |
94695-48-4 / 2,3,4,5-tetrafluorobenzoyl chloride
Basic Information
CAS
94695-48-4
Multi CAS
No
Molecular Formula
C7HCLF4O
Molecular Weight
212.530000
Exact Mass
211.965205
InChI
InChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H
InChIKey
XWCKIXLTBNGIHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.46
TPSA
17.07
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.15
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
