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CAS 72721-23-4 8-NITRO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 72721-23-4

8-NITRO-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS72721-23-4
  • Purity/Analytical Methods: >99.0%
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72721-23-4 / ethyl 8-nitroimidazo[1,2-a]pyridine-2-carboxylate

Standard CAS: 72721-23-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72721-23-4
Multi CAS
Yes
Molecular Formula
C10H9N3O4
Molecular Weight
235.200000
Exact Mass
235.059306
InChI
InChI=1S/C10H9N3O4/c1-2-17-10(14)7-6-12-5-3-4-8(13(15)16)9(12)11-7/h3-6H,2H2,1H3
InChIKey
YDLKKFCMWQRERX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
57.8
TPSA
86.74

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
2.1
Consensus LogP
1.59
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-3.15

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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