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CAS 368421-58-3 (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide molecular structure lightbox
CAS RN: 368421-58-3

(2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)thiobutyramide

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 1g In stock Inquiry
Batchno.20250528 250mg In stock Inquiry
Batchno.20260317 25g In stock Inquiry
Batchno.20260112 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 100g In stock Shanghai Inquiry
Batchno.20250717 10g In stock Shanghai Inquiry
Batchno.20251124 1g In stock Shanghai Inquiry
Batchno.20260423 25g In stock Shanghai Inquiry
Batchno.20260414 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250929 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-144090
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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 368421-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

368421-58-3 / (2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide

Standard CAS: 368421-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
368421-58-3
Multi CAS
Yes
Molecular Formula
C13F2H14N4OS
Molecular Weight
312.340000
Exact Mass
312.085639
InChI
InChI=1S/C13H14F2N4OS/c1-8(12(16)21)13(20,5-19-7-17-6-18-19)10-4-9(14)2-3-11(10)15/h2-4,6-8,20H,5H2,1H3,(H2,16,21)/t8-,13+/m0/s1
InChIKey
UWVOPVUWKIHGRF-ISVAXAHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
76.23
TPSA
76.96

LogP / Solubility

WLOGP
1.37
MLOGP
1.22
XLogP3
0.8
Consensus LogP
1.13
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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