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CAS 117908-10-8 5-(pyridin-2-yl)-1H-indole molecular structure lightbox
CAS RN: 117908-10-8

5-(pyridin-2-yl)-1H-indole

  • Product code: SSC-017736
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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 117908-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

117908-10-8 / 5-pyridin-2-yl-1H-indole

5-(Pyridin-2-yl)-1H-indole | DTXSID30557017 | RefChem:300658

Standard CAS: 117908-10-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
117908-10-8
Multi CAS
No
Molecular Formula
C13H10N2
Molecular Weight
194.230000
Exact Mass
194.084398
SMILES
C1=CC=NC(=C1)C2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C13H10N2/c1-2-7-14-12(3-1)10-4-5-13-11(9-10)6-8-15-13/h1-9,15H
InChIKey
LKVUGPCFEGORAO-UHFFFAOYSA-N
Synonyms
5-(Pyridin-2-yl)-1H-indole DTXSID30557017 RefChem:300658 DTXCID30507799 5-pyridin-2-yl-1h-indole

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
2.9
Consensus LogP
2.99
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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