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CAS 5654-97-7 1,3-DIHYDRO-2H-PYRROLO[2,3-B]PYRIDINE-2-ONE molecular structure lightbox
CAS RN: 5654-97-7

1,3-DIHYDRO-2H-PYRROLO[2,3-B]PYRIDINE-2-ONE

  • Product code: SSC-164543
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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: 5g
  • 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 5654-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

5654-97-7 / 1,3-dihydropyrrolo[2,3-b]pyridin-2-one

Standard CAS: 5654-97-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5654-97-7
Multi CAS
Yes
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
InChI
InChI=1S/C7H6N2O/c10-6-4-5-2-1-3-8-7(5)9-6/h1-3H,4H2,(H,8,9,10)
InChIKey
ZXSQEZNORDWBGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.57
TPSA
41.99

LogP / Solubility

WLOGP
0.58
MLOGP
0.5
Consensus LogP
0.36
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
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)
-3.13

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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