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CAS 1226415-45-7 5-(thiophen-2-yl)pyridin-3-aMine molecular structure lightbox
CAS RN: 1226415-45-7

5-(thiophen-2-yl)pyridin-3-aMine

  • Product code: SSC-025734
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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 1226415-45-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1226415-45-7 / 5-thiophen-2-ylpyridin-3-amine

Standard CAS: 1226415-45-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1226415-45-7
Multi CAS
No
Molecular Formula
C9H8N2S
Molecular Weight
176.240000
Exact Mass
176.040819
SMILES
C1=CSC(=C1)C2=CC(=CN=C2)N
InChI
InChI=1S/C9H8N2S/c10-8-4-7(5-11-6-8)9-2-1-3-12-9/h1-6H,10H2
InChIKey
ZQIMNWPXSICTFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.96
TPSA
38.91

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
1.5
Consensus LogP
2
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately 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)
-2.1

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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