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, 0.25g, 25g, 100g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 4 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 4 In Stock | Hong Kong | Inquiry |
| 10g | -- | 3 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 25g | -- | 1 In Stock | Beijing | Inquiry |
| 25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 100g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
757247-99-7 / 4-amino-2-chloro-3-fluorobenzonitrile
Basic Information
CAS
757247-99-7
Multi CAS
No
Molecular Formula
C7H4CLFN2
Molecular Weight
170.570000
Exact Mass
170.004704
InChI
InChI=1S/C7H4ClFN2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2H,11H2
InChIKey
XSTLYVVLZCCQOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.54
TPSA
49.81
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.7
Consensus LogP
1.78
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.39
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
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