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CAS 263890-70-6 GR148672X molecular structure lightbox
CAS RN: 263890-70-6

GR148672X

Product Availability

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8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250610 1mg / 5mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260527 100mg In stock Shanghai Inquiry
Batchno.20250820 10mg In stock Shanghai Inquiry
Batchno.20250915 1g In stock Shanghai Inquiry
Batchno.20260101 250mg In stock Shanghai Inquiry
Batchno.20260514 25mg In stock Shanghai Inquiry
Batchno.20251205 50mg In stock Shanghai Inquiry
Batchno.20260518 5mg In stock Shanghai Inquiry
  • Product code: SSC-123867
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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 263890-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

263890-70-6 / 4,4,4-trifluoro-2-[(3-methylphenyl)diazenyl]-1-thiophen-2-ylbutane-1,3-dione

Standard CAS: 263890-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263890-70-6
Multi CAS
No
Molecular Formula
C15H11F3N2O2S
Molecular Weight
340.300000
Exact Mass
340.049333
SMILES
CC1=CC(=CC=C1)N=NC(C(=O)C2=CC=CS2)C(=O)C(F)(F)F
InChI
InChI=1S/C15H11F3N2O2S/c1-9-4-2-5-10(8-9)19-20-12(14(22)15(16,17)18)13(21)11-6-3-7-23-11/h2-8,12H,1H3
InChIKey
JUKXUNNNKAZFCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
79.19
TPSA
58.86

LogP / Solubility

WLOGP
4.52
MLOGP
4
XLogP3
5
Consensus LogP
4.51
Log S (ESOL)
-4.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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