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CAS 81438-61-1 2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 81438-61-1

2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid

  • Product code: SSC-189886
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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 81438-61-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

81438-61-1 / 2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid

Standard CAS: 81438-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81438-61-1
Multi CAS
No
Molecular Formula
C9H7N3O4
Molecular Weight
221.170000
Exact Mass
221.043656
InChI
InChI=1S/C9H7N3O4/c1-5-8(9(13)14)11-4-6(12(15)16)2-3-7(11)10-5/h2-4H,1H3,(H,13,14)
InChIKey
WQIZDHFHJFLOOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.54
TPSA
97.74

LogP / Solubility

WLOGP
1.25
MLOGP
1.1
XLogP3
1.9
Consensus LogP
1.42
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

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

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