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CAS 142016-38-4 2-(4-METHYLPHENYL)IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 142016-38-4

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

  • Product code: SSC-052705
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 142016-38-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

142016-38-4 / 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

Standard CAS: 142016-38-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142016-38-4
Multi CAS
No
Molecular Formula
C15H12N2O
Molecular Weight
236.270000
Exact Mass
236.094963
SMILES
CC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C=O
InChI
InChI=1S/C15H12N2O/c1-11-5-7-12(8-6-11)15-13(10-18)17-9-3-2-4-14(17)16-15/h2-10H,1H3
InChIKey
PJWGCWHPWZXGCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.75
TPSA
34.37

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.6
Consensus LogP
3.16
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
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)
-1.94

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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