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CAS 864263-02-5 4-(2-Fluorophenoxy)benzyl amine molecular structure lightbox
CAS RN: 864263-02-5

4-(2-Fluorophenoxy)benzyl amine

  • Product code: SSC-195451
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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 864263-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

864263-02-5 / [4-(2-fluorophenoxy)phenyl]methanamine

Standard CAS: 864263-02-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864263-02-5
Multi CAS
No
Molecular Formula
C13FH12NO
Molecular Weight
217.240000
Exact Mass
217.090292
InChI
InChI=1S/C13H12FNO/c14-12-3-1-2-4-13(12)16-11-7-5-10(9-15)6-8-11/h1-8H,9,15H2
InChIKey
QYXCKJOXQGBFIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.81
TPSA
35.25

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
2.4
Consensus LogP
2.73
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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