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CAS 55095-25-5 (3-fluorophenyl)(phenyl)methylamine molecular structure lightbox
CAS RN: 55095-25-5

(3-fluorophenyl)(phenyl)methylamine

  • Product code: SSC-162934
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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 55095-25-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

55095-25-5 / (3-fluorophenyl)-phenylmethanamine

Standard CAS: 55095-25-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55095-25-5
Multi CAS
Yes
Molecular Formula
C13FH12N
Molecular Weight
201.240000
Exact Mass
201.095378
InChI
InChI=1S/C13H12FN/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13H,15H2
InChIKey
CGZRUHXQDYRPLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.87
TPSA
26.02

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.6
Consensus LogP
2.67
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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