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CAS 1502181-18-1 2-[4-(2-Imidazolyl)phenyl]pyridine molecular structure lightbox
CAS RN: 1502181-18-1

2-[4-(2-Imidazolyl)phenyl]pyridine

  • Product code: SSC-060187
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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 1502181-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1502181-18-1 / 2-[4-(1H-imidazol-2-yl)phenyl]pyridine

Standard CAS: 1502181-18-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1502181-18-1
Multi CAS
No
Molecular Formula
C14H11N3
Molecular Weight
221.260000
Exact Mass
221.095297
SMILES
C1=CC=NC(=C1)C2=CC=C(C=C2)C3=NC=CN3
InChI
InChI=1S/C14H11N3/c1-2-8-15-13(3-1)11-4-6-12(7-5-11)14-16-9-10-17-14/h1-10H,(H,16,17)
InChIKey
LTXPORMRFQEYEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.25
TPSA
41.57

LogP / Solubility

WLOGP
3.14
MLOGP
2.76
XLogP3
2.3
Consensus LogP
2.73
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly 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)
-1.84

Drug-likeness / Medicinal Chemistry

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

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