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CAS 78316-22-0 “3-Methyl-3H-iMidazo[4,5-b]pyridine-7-carboxylic acid” molecular structure lightbox
CAS RN: 78316-22-0

“3-Methyl-3H-iMidazo[4,5-b]pyridine-7-carboxylic acid”

  • Product code: SSC-187758
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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: ≥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 78316-22-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

78316-22-0 / 3-methylimidazo[4,5-b]pyridine-7-carboxylic acid

Standard CAS: 78316-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78316-22-0
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
InChI
InChI=1S/C8H7N3O2/c1-11-4-10-6-5(8(12)13)2-3-9-7(6)11/h2-4H,1H3,(H,12,13)
InChIKey
VGWIYXYVOPSYLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.47
TPSA
68.01

LogP / Solubility

WLOGP
0.67
MLOGP
0.58
XLogP3
0.2
Consensus LogP
0.48
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.33

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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