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CAS 81438-60-0 2-METHYL-6-NITRO-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 81438-60-0

2-METHYL-6-NITRO-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-189885
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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 81438-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

81438-60-0 / ethyl 2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylate

Standard CAS: 81438-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81438-60-0
Multi CAS
No
Molecular Formula
C11H11N3O4
Molecular Weight
249.220000
Exact Mass
249.074956
InChI
InChI=1S/C11H11N3O4/c1-3-18-11(15)10-7(2)12-9-5-4-8(14(16)17)6-13(9)10/h4-6H,3H2,1-2H3
InChIKey
SESKONWMKGZKOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
62.54
TPSA
86.74

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
2.5
Consensus LogP
1.92
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

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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