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CAS 503843-67-2 3-Pyridinecarbonitrile,4-cyclopropyl-(9CI) molecular structure lightbox
CAS RN: 503843-67-2

3-Pyridinecarbonitrile,4-cyclopropyl-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS503843-67-2
  • Purity/Analytical Methods: >99.0%
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503843-67-2 / 4-cyclopropylpyridine-3-carbonitrile

Standard CAS: 503843-67-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
503843-67-2
Multi CAS
No
Molecular Formula
C9H8N2
Molecular Weight
144.170000
Exact Mass
144.068748
InChI
InChI=1S/C9H8N2/c10-5-8-6-11-4-3-9(8)7-1-2-7/h3-4,6-7H,1-2H2
InChIKey
YAFJSMQTZSFJOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.93
TPSA
36.68

LogP / Solubility

WLOGP
1.83
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.64
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-2.3

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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