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CAS 142078-41-9 1H-pyrrolo[3,2-b]pyridin-7-amine molecular structure lightbox
CAS RN: 142078-41-9

1H-pyrrolo[3,2-b]pyridin-7-amine

  • Product code: SSC-052758
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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 142078-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

142078-41-9 / 1H-pyrrolo[3,2-b]pyridin-7-amine

Standard CAS: 142078-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142078-41-9
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
SMILES
C1=CNC2=C(C=CN=C21)N
InChI
InChI=1S/C7H7N3/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4,10H,(H2,8,9)
InChIKey
MNDKWHJWSWYUKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.51
TPSA
54.7

LogP / Solubility

WLOGP
1.15
MLOGP
1
XLogP3
0.4
Consensus LogP
0.85
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-2.72

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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