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CAS 1785079-90-4 4-(2-Fluoroethyl)cyclohexanamine molecular structure lightbox
CAS RN: 1785079-90-4

4-(2-Fluoroethyl)cyclohexanamine

  • Product code: SSC-079323
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1785079-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Beijing Inquiry

1785079-90-4 / 4-(2-fluoroethyl)cyclohexan-1-amine

Standard CAS: 1785079-90-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1785079-90-4
Multi CAS
No
Molecular Formula
C8H16FN
Molecular Weight
145.220000
Exact Mass
145.126678
SMILES
C1CC(CCC1CCF)N
InChI
InChI=1S/C8H16FN/c9-6-5-7-1-3-8(10)4-2-7/h7-8H,1-6,10H2
InChIKey
XVENXKXKXDHFKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.53
TPSA
26.02

LogP / Solubility

WLOGP
1.86
MLOGP
1.63
XLogP3
1.5
Consensus LogP
1.66
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.28

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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