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CAS 59489-41-7 7-Trifluoromethylquinoxalin-2-one molecular structure lightbox
CAS RN: 59489-41-7

7-Trifluoromethylquinoxalin-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250412 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-167960
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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 59489-41-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

59489-41-7 / 7-(trifluoromethyl)-1H-quinoxalin-2-one

Standard CAS: 59489-41-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59489-41-7
Multi CAS
Yes
Molecular Formula
C9F3H5N2O
Molecular Weight
214.140000
Exact Mass
214.035397
InChI
InChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-4H,(H,14,15)
InChIKey
CJEVOLAJDVZFHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.37
TPSA
45.75

LogP / Solubility

WLOGP
1.94
MLOGP
1.71
XLogP3
1.7
Consensus LogP
1.78
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

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

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