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CAS 30458-68-5 2-Chloro-3-Methyl-3H-iMidazo[4,5-b]pyridine molecular structure lightbox
CAS RN: 30458-68-5

2-Chloro-3-Methyl-3H-iMidazo[4,5-b]pyridine

  • Product code: SSC-134906
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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: 1g
  • Available purity: ＞97%
  • 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 30458-68-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

30458-68-5 / 2-chloro-3-methylimidazo[4,5-b]pyridine

Standard CAS: 30458-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30458-68-5
Multi CAS
No
Molecular Formula
C7H6CLN3
Molecular Weight
167.590000
Exact Mass
167.025025
InChI
InChI=1S/C7H6ClN3/c1-11-6-5(10-7(11)8)3-2-4-9-6/h2-4H,1H3
InChIKey
YPHGAEKALDRGJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
43.52
TPSA
30.71

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
1.7
Consensus LogP
1.58
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-2.59

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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