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CAS 1196151-36-6 5-(trifluoromethyl)pyrazine-2-carbaldehyde molecular structure lightbox
CAS RN: 1196151-36-6

5-(trifluoromethyl)pyrazine-2-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-020187
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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: 0.25g
  • 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 1196151-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1196151-36-6 / 5-(trifluoromethyl)pyrazine-2-carbaldehyde

5-(TRIFLUOROMETHYL)PYRAZINE-2-CARBALDEHYDE | MFCD13190171 | 2-Pyrazinecarboxaldehyde, 5-(trifluoromethyl)-

Standard CAS: 1196151-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196151-36-6
Multi CAS
No
Molecular Formula
C6H3F3N2O
Molecular Weight
176.100000
Exact Mass
176.019747
SMILES
C1=C(N=CC(=N1)C(F)(F)F)C=O
InChI
InChI=1S/C6H3F3N2O/c7-6(8,9)5-2-10-4(3-12)1-11-5/h1-3H
InChIKey
AIMGDDYGZCDYNK-UHFFFAOYSA-N
Synonyms
5-(TRIFLUOROMETHYL)PYRAZINE-2-CARBALDEHYDE MFCD13190171 2-Pyrazinecarboxaldehyde, 5-(trifluoromethyl)- 5-Trifluoromethyl-pyrazine-2-carbaldehyde 5-(Trifluoromethyl)-2-pyrazinecarboxaldehyde

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.42
TPSA
42.85

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
0.5
Consensus LogP
0.99
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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