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CAS 124432-66-2 5-(trifluoroMethyl)-2-Methoxypyridine-3-carbaldehyde molecular structure lightbox
CAS RN: 124432-66-2

5-(trifluoroMethyl)-2-Methoxypyridine-3-carbaldehyde

  • Product code: SSC-028331
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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: ＞97%
  • 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 124432-66-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

124432-66-2 / 2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde

Standard CAS: 124432-66-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124432-66-2
Multi CAS
No
Molecular Formula
C8H6F3NO2
Molecular Weight
205.130000
Exact Mass
205.035063
SMILES
COC1=C(C=C(C=N1)C(F)(F)F)C=O
InChI
InChI=1S/C8H6F3NO2/c1-14-7-5(4-13)2-6(3-12-7)8(9,10)11/h2-4H,1H3
InChIKey
DUKUCHVAXRNGDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.18
TPSA
39.19

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.5
Consensus LogP
1.7
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

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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