CAS RN: 39959-87-0
2-(2,3-dichlorophenoxy)ethan-1-amine hydrochloride
- Product code: SSC-147789
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: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >98%
- Inventory rows with stock: 3
- 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 |
|---|---|---|---|---|
| 0.1g | >98% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 1 In Stock | Shanghai | Inquiry |
| 1g | >98% | 1 In Stock | Beijing | Inquiry |
| 5g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
39959-87-0 / 2-(2,3-dichlorophenoxy)ethylazanium chloride
Basic Information
CAS
39959-87-0
Multi CAS
Yes
Molecular Formula
C8H10CL3NO
Molecular Weight
242.500000
Exact Mass
240.982797
InChI
InChI=1S/C8H9Cl2NO.ClH/c9-6-2-1-3-7(8(6)10)12-5-4-11;/h1-3H,4-5,11H2;1H
InChIKey
WXJRJTRCMNYTHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.71
TPSA
36.87
LogP / Solubility
WLOGP
-1.38
MLOGP
-1.21
XLogP3
-1.38
Consensus LogP
-1.32
Log S (ESOL)
-0.62
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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