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CAS 90734-76-2 imidazo[1,2-a]pyrazin-3-yl(phenyl)methanone molecular structure lightbox
CAS RN: 90734-76-2

imidazo[1,2-a]pyrazin-3-yl(phenyl)methanone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS90734-76-2
  • Purity/Analytical Methods: >99.0%
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90734-76-2 / imidazo[1,2-a]pyrazin-3-yl(phenyl)methanone

Standard CAS: 90734-76-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90734-76-2
Multi CAS
No
Molecular Formula
C13H9N3O
Molecular Weight
223.230000
Exact Mass
223.074562
InChI
InChI=1S/C13H9N3O/c17-13(10-4-2-1-3-5-10)11-8-15-12-9-14-6-7-16(11)12/h1-9H
InChIKey
CVQCOFAEYRXAAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
62.86
TPSA
47.26

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
2.4
Consensus LogP
2.03
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

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

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