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CAS 916895-89-1 3-(2-aminoethyl)-1H-pyrrolo[2,3-b]pyridin-5-ol molecular structure lightbox
CAS RN: 916895-89-1

3-(2-aminoethyl)-1H-pyrrolo[2,3-b]pyridin-5-ol

  • Product code: SSC-205079
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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 916895-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

916895-89-1 / 3-(2-aminoethyl)-1H-pyrrolo[2,3-b]pyridin-5-ol

Standard CAS: 916895-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916895-89-1
Multi CAS
No
Molecular Formula
C9H11N3O
Molecular Weight
177.200000
Exact Mass
177.090212
InChI
InChI=1S/C9H11N3O/c10-2-1-6-4-11-9-8(6)3-7(13)5-12-9/h3-5,13H,1-2,10H2,(H,11,12)
InChIKey
MAIBYZPMDIUQQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.52
TPSA
74.93

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.3
Consensus LogP
0.58
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.25

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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