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CAS 1371569-69-5 (4-(3-Benzyloxyphenyl)-2-ethylsulfinyl-6-(trifluoroMethyl)pyriMidine molecular structure lightbox
CAS RN: 1371569-69-5

(4-(3-Benzyloxyphenyl)-2-ethylsulfinyl-6-(trifluoroMethyl)pyriMidine

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 25mg In stock Shandong Inquiry
Batchno.20251215 5mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250116 100mg In stock Shanghai Inquiry
Batchno.20250728 1g In stock Shanghai Inquiry
Batchno.20250210 1mg In stock Shanghai Inquiry
Batchno.20250901 250mg In stock Shanghai Inquiry
Batchno.20260116 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 100mg In stock Inquiry
Batchno.20250507 25mg In stock Inquiry
Batchno.20250422 5mg In stock Inquiry
  • Product code: SSC-046644
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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 1371569-69-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1371569-69-5 / 2-ethylsulfinyl-4-(3-phenylmethoxyphenyl)-6-(trifluoromethyl)pyrimidine

Standard CAS: 1371569-69-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1371569-69-5
Multi CAS
No
Molecular Formula
C20H17F3N2O2S
Molecular Weight
406.400000
Exact Mass
406.096283
SMILES
CCS(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C20H17F3N2O2S/c1-2-28(26)19-24-17(12-18(25-19)20(21,22)23)15-9-6-10-16(11-15)27-13-14-7-4-3-5-8-14/h3-12H,2,13H2,1H3
InChIKey
NTDFYGSSDDMNHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
100.19
TPSA
52.08

LogP / Solubility

WLOGP
4.87
MLOGP
4.31
XLogP3
4
Consensus LogP
4.39
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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