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CAS 1060812-68-1 1-(5-(trifluoromethyl)pyrazin-2-yl)ethan-1-one molecular structure lightbox
CAS RN: 1060812-68-1

1-(5-(trifluoromethyl)pyrazin-2-yl)ethan-1-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-007842
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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 1060812-68-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1060812-68-1 / 1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone

1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone | Ethanone, 1-[5-(trifluoromethyl)-2-pyrazinyl]- | MFCD13189470

Standard CAS: 1060812-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060812-68-1
Multi CAS
No
Molecular Formula
C7H5F3N2O
Molecular Weight
190.120000
Exact Mass
190.035397
SMILES
CC(=O)C1=CN=C(C=N1)C(F)(F)F
InChI
InChI=1S/C7H5F3N2O/c1-4(13)5-2-12-6(3-11-5)7(8,9)10/h2-3H,1H3
InChIKey
MDYAQPCSNDPWSV-UHFFFAOYSA-N
Synonyms
1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone Ethanone, 1-[5-(trifluoromethyl)-2-pyrazinyl]- MFCD13189470 1-(5-(TRIFLUOROMETHYL)PYRAZIN-2-YL)ETHANONE 1-(5-(Trifluoromethyl)pyrazin-2-yl)ethan-1-one

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.04
TPSA
42.85

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
0.7
Consensus LogP
1.3
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.67

Drug-likeness / Medicinal Chemistry

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

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