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CAS 19839-52-2 2,9-dihydropyrido[3,4-b]indol-1-one molecular structure lightbox
CAS RN: 19839-52-2

2,9-dihydropyrido[3,4-b]indol-1-one

  • Product code: SSC-093467
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19839-52-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

19839-52-2 / 2,9-dihydropyrido[3,4-b]indol-1-one

Standard CAS: 19839-52-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19839-52-2
Multi CAS
No
Molecular Formula
C11H8N2O
Molecular Weight
184.190000
Exact Mass
184.063663
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=O)NC=C3
InChI
InChI=1S/C11H8N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-6,13H,(H,12,14)
InChIKey
SGJQMRQYHMXDTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
1
H-bond donors
2
Molar refractivity
56.43
TPSA
48.65

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.42

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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