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CAS 1368712-82-6 1-(3,4-Difluorophenyl)cyclopropanemethanamine molecular structure lightbox
CAS RN: 1368712-82-6

1-(3,4-Difluorophenyl)cyclopropanemethanamine

  • Product code: SSC-046121
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1368712-82-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1368712-82-6 / [1-(3,4-difluorophenyl)cyclopropyl]methanamine

Standard CAS: 1368712-82-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1368712-82-6
Multi CAS
No
Molecular Formula
C10H11F2N
Molecular Weight
183.200000
Exact Mass
183.085956
SMILES
C1CC1(CN)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C10H11F2N/c11-8-2-1-7(5-9(8)12)10(6-13)3-4-10/h1-2,5H,3-4,6,13H2
InChIKey
FTXCAWQACLEBGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.32
TPSA
26.02

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
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)
-2.45

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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