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CAS 368426-86-2 5-(Aminomethyl)-2-fluorobenzonitrile molecular structure lightbox
CAS RN: 368426-86-2

5-(Aminomethyl)-2-fluorobenzonitrile

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250827 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS368426-86-2
  • Purity/Analytical Methods: >99.0%
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368426-86-2 / 5-(aminomethyl)-2-fluorobenzonitrile

Standard CAS: 368426-86-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
368426-86-2
Multi CAS
No
Molecular Formula
C8FH7N2
Molecular Weight
150.150000
Exact Mass
150.059326
InChI
InChI=1S/C8H7FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4,10H2
InChIKey
VRSKZZIXPDVEFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.01
TPSA
49.81

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
0.6
Consensus LogP
0.92
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.82

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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