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CAS 7471-05-8 2-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PYRIDINE molecular structure lightbox
CAS RN: 7471-05-8

2-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PYRIDINE

  • Product code: SSC-184163
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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 7471-05-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

7471-05-8 / 2-(4,5-dihydro-1H-imidazol-2-yl)pyridine

Standard CAS: 7471-05-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7471-05-8
Multi CAS
No
Molecular Formula
C8H9N3
Molecular Weight
147.180000
Exact Mass
147.079647
InChI
InChI=1S/C8H9N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-4H,5-6H2,(H,10,11)
InChIKey
BPPSPXOWNGOEGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.64
TPSA
37.28

LogP / Solubility

WLOGP
0.43
MLOGP
0.37
XLogP3
0.1
Consensus LogP
0.3
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

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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