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CAS 4589-12-2 N-pyridin-2-ylbenzamide molecular structure lightbox
CAS RN: 4589-12-2

N-pyridin-2-ylbenzamide

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3 package records1 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250805 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250721 100mg Out of stock 8-10 business days Inquiry
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Batchno.20260111 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4589-12-2
  • Purity/Analytical Methods: >99.0%
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4589-12-2 / N-pyridin-2-ylbenzamide

Standard CAS: 4589-12-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4589-12-2
Multi CAS
Yes
Molecular Formula
C12H10N2O
Molecular Weight
198.220000
Exact Mass
198.079313
InChI
InChI=1S/C12H10N2O/c15-12(10-6-2-1-3-7-10)14-11-8-4-5-9-13-11/h1-9H,(H,13,14,15)
InChIKey
LZIJKEIPCFEOLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.63
TPSA
41.99

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.27

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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