CAS RN: 914086-51-4
2-(3-CHLORO-4-FLUOROPHENOXY)ETHYLAMINEHYDROCHLORIDE
- Product code: SSC-204445
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
- Available purity: >97%
- Inventory rows with stock: 4
- 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.
914086-51-4 / 2-(3-chloro-4-fluorophenoxy)ethanamine;hydrochloride
Basic Information
CAS
914086-51-4
Multi CAS
Yes
Molecular Formula
C8H10CL2FNO
Molecular Weight
226.070000
Exact Mass
225.012348
InChI
InChI=1S/C8H9ClFNO.ClH/c9-7-5-6(12-4-3-11)1-2-8(7)10;/h1-2,5H,3-4,11H2;1H
InChIKey
APYLEIPMEMWTTG-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
2
H-bond donors
1
Molar refractivity
53.21
TPSA
35.25
LogP / Solubility
WLOGP
2.24
MLOGP
1.97
XLogP3
2.24
Consensus LogP
2.15
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.51
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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