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CAS 881040-31-9 2-(2,4-DIMETHYLPHENYL)IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 881040-31-9

2-(2,4-DIMETHYLPHENYL)IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260416 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS881040-31-9
  • Purity/Analytical Methods: >99.0%
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881040-31-9 / 2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

Standard CAS: 881040-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881040-31-9
Multi CAS
No
Molecular Formula
C16H14N2O
Molecular Weight
250.290000
Exact Mass
250.110613
InChI
InChI=1S/C16H14N2O/c1-11-6-7-13(12(2)9-11)16-14(10-19)18-8-4-3-5-15(18)17-16/h3-10H,1-2H3
InChIKey
YPEPKMWTDCIKIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
75.49
TPSA
34.37

LogP / Solubility

WLOGP
3.43
MLOGP
3.02
XLogP3
3.9
Consensus LogP
3.45
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
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)
-1.81

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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