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CAS 1227418-16-7 1-(3-Chloro-2-fluorophenyl)cyclopropanamine molecular structure lightbox
CAS RN: 1227418-16-7

1-(3-Chloro-2-fluorophenyl)cyclopropanamine

  • Product code: SSC-025920
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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, 5g, 1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1227418-16-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry

1227418-16-7 / 1-(3-chloro-2-fluorophenyl)cyclopropan-1-amine

Standard CAS: 1227418-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227418-16-7
Multi CAS
No
Molecular Formula
C9H9ClFN
Molecular Weight
185.620000
Exact Mass
185.040755
SMILES
C1CC1(C2=C(C(=CC=C2)Cl)F)N
InChI
InChI=1S/C9H9ClFN/c10-7-3-1-2-6(8(7)11)9(12)4-5-9/h1-3H,4-5,12H2
InChIKey
LJDIWAITMBMMFC-UHFFFAOYSA-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
46.51
TPSA
26.02

LogP / Solubility

WLOGP
2.43
MLOGP
2.13
XLogP3
1.9
Consensus LogP
2.15
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.13

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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