CAS RN: 727652-03-1

2-(4-FLUORO-PHENYL)-8-METHYL-IMIDAZO[1,2-A]-PYRIDINE-3-CARBALDEHYDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS727652-03-1
  • Purity/Analytical Methods: >99.0%
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727652-03-1 / 2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde

Standard CAS: 727652-03-1 Multi CAS: No

Basic Information

CAS
727652-03-1
Multi CAS
No
Molecular Formula
C15FH11N2O
Molecular Weight
254.260000
Exact Mass
254.085541
InChI
InChI=1S/C15H11FN2O/c1-10-3-2-8-18-13(9-19)14(17-15(10)18)11-4-6-12(16)7-5-11/h2-9H,1H3
InChIKey
AUKAWNIZBUOSHU-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
3
Molar refractivity
70.71
TPSA
34.37

LogP / Solubility

WLOGP
3.26
MLOGP
2.88
XLogP3
3.7
Consensus LogP
3.28
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
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)
-1.96

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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