CAS RN: 146581-82-0

2,2′-BIPYRIDINE-4-CARBALDEHYDE

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8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 100mg In stock Shanghai Inquiry
Batchno.20251009 100mg In stock Shanghai Inquiry
Batchno.20260118 1g In stock Shandong, Chongqing Inquiry
Batchno.20260413 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250519 250mg In stock Shanghai, Shandong Inquiry
Batchno.20250226 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251127 50mg In stock Shanghai Inquiry
Batchno.20250323 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS146581-82-0
  • Purity/Analytical Methods: >99.0%
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146581-82-0 / 2-pyridin-2-ylpyridine-4-carbaldehyde

Standard CAS: 146581-82-0 Multi CAS: No

Basic Information

CAS
146581-82-0
Multi CAS
No
Molecular Formula
C11H8N2O
Molecular Weight
184.190000
Exact Mass
184.063663
SMILES
C1=CC=NC(=C1)C2=NC=CC(=C2)C=O
InChI
InChI=1S/C11H8N2O/c14-8-9-4-6-13-11(7-9)10-3-1-2-5-12-10/h1-8H
InChIKey
YSZFRHYUHKSZTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.86
TPSA
42.85

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.2
Consensus LogP
1.63
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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