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CAS 89660-20-8 5-chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one molecular structure lightbox
CAS RN: 89660-20-8

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

  • Product code: SSC-201700
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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: 0.25g, 1g, 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 89660-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

89660-20-8 / 5-chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2-one

Standard CAS: 89660-20-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89660-20-8
Multi CAS
Yes
Molecular Formula
C7H6CLN3O
Molecular Weight
183.590000
Exact Mass
183.019940
InChI
InChI=1S/C7H6ClN3O/c1-11-6-4(9-7(11)12)2-3-5(8)10-6/h2-3H,1H3,(H,9,12)
InChIKey
UZWLAZJZNOJQAJ-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
0.91
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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