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CAS 91822-43-4 2-NAPHTHALEN-1-YL-1H-IMIDAZOLE molecular structure lightbox
CAS RN: 91822-43-4

2-NAPHTHALEN-1-YL-1H-IMIDAZOLE

  • Product code: SSC-205264
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 91822-43-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

91822-43-4 / 2-naphthalen-1-yl-1H-imidazole

Standard CAS: 91822-43-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91822-43-4
Multi CAS
No
Molecular Formula
C13H10N2
Molecular Weight
194.230000
Exact Mass
194.084398
InChI
InChI=1S/C13H10N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-9H,(H,14,15)
InChIKey
XSBINRYSUHFKST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.53
TPSA
28.68

LogP / Solubility

WLOGP
3.23
MLOGP
2.84
XLogP3
3
Consensus LogP
3.02
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-1.61

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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