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CAS 55096-88-3 BENZYL-(4-FLUORO-BENZYL)-AMINE molecular structure lightbox
CAS RN: 55096-88-3

BENZYL-(4-FLUORO-BENZYL)-AMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 100mg / 250mg / 1g Confirm by inquiry Shanghai, Chongqing Inquiry
  • Product code: starshine_CAS55096-88-3
  • Purity/Analytical Methods: >99.0%
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55096-88-3 / N-[(4-fluorophenyl)methyl]-1-phenylmethanamine

Standard CAS: 55096-88-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55096-88-3
Multi CAS
Yes
Molecular Formula
C14FH14N
Molecular Weight
215.270000
Exact Mass
215.111028
InChI
InChI=1S/C14H14FN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2
InChIKey
SXZSRGKJZKOZRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.39
TPSA
12.03

LogP / Solubility

WLOGP
3.12
MLOGP
2.74
XLogP3
2.8
Consensus LogP
2.89
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-1.82

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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