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, 1000g
- Available purity: >97%
- 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 | Shenzhen | Inquiry |
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 4 In Stock | Shanghai | Inquiry |
| 10g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 100g | -- | 1 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 1 In Stock | Beijing | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
52516-13-9 / 2-(2,4-dichlorophenyl)ethanamine
Basic Information
CAS
52516-13-9
Multi CAS
Yes
Molecular Formula
C8H9CL2N
Molecular Weight
190.070000
Exact Mass
189.011205
InChI
InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2
InChIKey
VHJKDOLGYMULOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.22
TPSA
26.02
LogP / Solubility
WLOGP
2.49
MLOGP
2.19
XLogP3
2.5
Consensus LogP
2.39
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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