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CAS 54970-96-6 7-METHYL-2-(3-NITROPHENYL)IMIDAZO[1,2-A]PYRIDINE molecular structure lightbox
CAS RN: 54970-96-6

7-METHYL-2-(3-NITROPHENYL)IMIDAZO[1,2-A]PYRIDINE

  • Product code: SSC-162807
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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: 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 54970-96-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

54970-96-6 / 7-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine

Standard CAS: 54970-96-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54970-96-6
Multi CAS
No
Molecular Formula
C14H11N3O2
Molecular Weight
253.260000
Exact Mass
253.085127
InChI
InChI=1S/C14H11N3O2/c1-10-5-6-16-9-13(15-14(16)7-10)11-3-2-4-12(8-11)17(18)19/h2-9H,1H3
InChIKey
ZJQYLKVDBSTLMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.02
TPSA
60.44

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
3.6
Consensus LogP
3.22
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

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

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