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CAS 40852-06-0 5-Chloro-1-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one molecular structure lightbox
CAS RN: 40852-06-0

5-Chloro-1-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one

  • Product code: SSC-149236
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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: 0.1g, 0.25g, 1g, 10g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • 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 40852-06-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Hong Kong Inquiry
1g ≥95% 4 In Stock Shanghai Inquiry
10g ≥95% 4 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

40852-06-0 / 5-chloro-1-methyl-3H-imidazo[4,5-b]pyridin-2-one

Standard CAS: 40852-06-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40852-06-0
Multi CAS
Yes
Molecular Formula
C7H6CLN3O
Molecular Weight
183.590000
Exact Mass
183.019940
InChI
InChI=1S/C7H6ClN3O/c1-11-4-2-3-5(8)9-6(4)10-7(11)12/h2-3H,1H3,(H,9,10,12)
InChIKey
CRMDODRROWFDQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.34
TPSA
50.68

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
1
Consensus LogP
0.9
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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