CAS RN: 885276-91-5

3-BENZYL-IMIDAZO[1,5-A]PYRIDINE-1-CARBALDEHYDE

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Batchno.20250410 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS885276-91-5
  • Purity/Analytical Methods: >99.0%
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885276-91-5 / 3-benzylimidazo[1,5-a]pyridine-1-carbaldehyde

Standard CAS: 885276-91-5 Multi CAS: No

Basic Information

CAS
885276-91-5
Multi CAS
No
Molecular Formula
C15H12N2O
Molecular Weight
236.270000
Exact Mass
236.094963
InChI
InChI=1S/C15H12N2O/c18-11-13-14-8-4-5-9-17(14)15(16-13)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKey
RWZCUFHLYCUUFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
69.83
TPSA
34.37

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
3.6
Consensus LogP
2.92
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly 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)
-2.22

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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