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CAS 1100353-03-4 N-(3-(iMidazo[1,2-a]pyridin-2-yl)phenyl)-8-Methoxy-2-oxo-2H-chroMene-3-carboxaMide molecular structure lightbox
CAS RN: 1100353-03-4

N-(3-(iMidazo[1,2-a]pyridin-2-yl)phenyl)-8-Methoxy-2-oxo-2H-chroMene-3-carboxaMide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250123 1mg / 5mg / 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1100353-03-4
  • Purity/Analytical Methods: >99.0%
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1100353-03-4 / N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide

N-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-8-methoxy-2-oxo-2H-chromene-3-carboxamide | CASP3 Activator 1541 | Procaspase-3/6 activator 1

Standard CAS: 1100353-03-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1100353-03-4
Multi CAS
No
Molecular Formula
C24H17N3O4
Molecular Weight
411.400000
Exact Mass
411.121906
SMILES
COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=CC(=C3)C4=CN5C=CC=CC5=N4
InChI
InChI=1S/C24H17N3O4/c1-30-20-9-5-7-16-13-18(24(29)31-22(16)20)23(28)25-17-8-4-6-15(12-17)19-14-27-11-3-2-10-21(27)26-19/h2-14H,1H3,(H,25,28)
InChIKey
PQLVYQVWNPGJML-UHFFFAOYSA-N
Synonyms
N-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-8-methoxy-2-oxo-2H-chromene-3-carboxamide CASP3 Activator 1541 Procaspase-3/6 activator 1 CHEMBL1242213 N-(3-{imidazo[1,2-a]pyridin-2-yl}phenyl)-8-methoxy-2-oxo-2H-chromene-3-carboxamide

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
25
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
117.62
TPSA
85.84

LogP / Solubility

WLOGP
4.37
MLOGP
3.87
XLogP3
4.4
Consensus LogP
4.21
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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