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CAS 351-95-1 N-(4-Fluorophenyl)glycine molecular structure lightbox
CAS RN: 351-95-1

N-(4-Fluorophenyl)glycine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250128 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTF0960
  • Purity/Analytical Methods: >98.0%(GC)(T)
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351-95-1 / 2-amino-2-(4-fluorophenyl)acetic acid

Standard CAS: 351-95-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
351-95-1
Multi CAS
Yes
Molecular Formula
C8FH8NO2
Molecular Weight
169.150000
Exact Mass
169.053907
InChI
InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
InChIKey
JKFYKCYQEWQPTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.96
TPSA
63.32

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
-1.6
Consensus LogP
0.04
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-3.11

Drug-likeness / Medicinal Chemistry

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

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