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CAS 26568-26-3 trans-[2-(4-Fluorophenyl)cyclopropyl]aMine Hydrochloride molecular structure lightbox
CAS RN: 26568-26-3

trans-[2-(4-Fluorophenyl)cyclopropyl]aMine Hydrochloride

  • Product code: SSC-124596
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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
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 26568-26-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry

26568-26-3 / 2-(4-fluorophenyl)cyclopropan-1-amine;hydrochloride

Standard CAS: 26568-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26568-26-3
Multi CAS
No
Molecular Formula
C9H11ClFN
Molecular Weight
187.640000
Exact Mass
187.056405
SMILES
C1C(C1N)C2=CC=C(C=C2)F.Cl
InChI
InChI=1S/C9H10FN.ClH/c10-7-3-1-6(2-4-7)8-5-9(8)11;/h1-4,8-9H,5,11H2;1H/t8-,9+;/m0./s1
InChIKey
ZQPBZLHQLCAFOQ-OULXEKPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.98
TPSA
26.02

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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