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CAS 1507868-26-9 [3-(2-FLUOROPHENYL)OXETAN-3-YL]METHANAMINE molecular structure lightbox
CAS RN: 1507868-26-9

[3-(2-FLUOROPHENYL)OXETAN-3-YL]METHANAMINE

  • Product code: SSC-060701
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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: 0.25g
  • 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 1507868-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1507868-26-9 / [3-(2-fluorophenyl)oxetan-3-yl]methanamine

Standard CAS: 1507868-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1507868-26-9
Multi CAS
No
Molecular Formula
C10H12FNO
Molecular Weight
181.210000
Exact Mass
181.090292
SMILES
C1C(CO1)(CN)C2=CC=CC=C2F
InChI
InChI=1S/C10H12FNO/c11-9-4-2-1-3-8(9)10(5-12)6-13-7-10/h1-4H,5-7,12H2
InChIKey
GSCONSAITBCSAG-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
2
H-bond donors
1
Molar refractivity
47.95
TPSA
35.25

LogP / Solubility

WLOGP
1.05
MLOGP
0.92
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-3.08

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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