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CAS 40107-95-7 1H-Pyrrolo[3,4-c]pyridin-3(2H)-one molecular structure lightbox
CAS RN: 40107-95-7

1H-Pyrrolo[3,4-c]pyridin-3(2H)-one

  • Product code: SSC-148093
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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: 5g, 0.1g, 0.25g, 1g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 40107-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 2 In Stock Hong Kong Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry
10g >95% 0 Out of Stock Shanghai Inquiry

40107-95-7 / 1,2-dihydropyrrolo[3,4-c]pyridin-3-one

Standard CAS: 40107-95-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40107-95-7
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
InChI
InChI=1S/C7H6N2O/c10-7-6-4-8-2-1-5(6)3-9-7/h1-2,4H,3H2,(H,9,10)
InChIKey
ROSODFDWJFAKQI-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
35.41
TPSA
41.99

LogP / Solubility

WLOGP
0.33
MLOGP
0.28
XLogP3
-0.3
Consensus LogP
0.1
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very 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)
-3.31

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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