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CAS 23974-93-8 4,4′,4”-(1H-imidazole-2,4,5-triyl)tripyridine molecular structure lightbox
CAS RN: 23974-93-8

4,4′,4”-(1H-imidazole-2,4,5-triyl)tripyridine

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260418 1g In stock Shanghai Inquiry
Batchno.20250418 250mg In stock Shanghai Inquiry
Batchno.20250315 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: LINH887253
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23974-93-8 / 4-(2,4-dipyridin-4-yl-1H-imidazol-5-yl)pyridine

Standard CAS: 23974-93-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23974-93-8
Multi CAS
No
Molecular Formula
C18H13N5
Molecular Weight
299.300000
Exact Mass
299.117095
SMILES
C1=CN=CC=C1C2=C(N=C(N2)C3=CC=NC=C3)C4=CC=NC=C4
InChI
InChI=1S/C18H13N5/c1-7-19-8-2-13(1)16-17(14-3-9-20-10-4-14)23-18(22-16)15-5-11-21-12-6-15/h1-12H,(H,22,23)
InChIKey
YJOAHXHOXMAHOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
23
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.28
TPSA
67.35

LogP / Solubility

WLOGP
3.6
MLOGP
3.18
XLogP3
1.8
Consensus LogP
2.86
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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