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CAS 894187-61-2 STF-118804 molecular structure lightbox
CAS RN: 894187-61-2

STF-118804

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 100mg In stock Inquiry
Batchno.20250205 10mg In stock Inquiry
Batchno.20260223 200mg In stock Inquiry
Batchno.20250430 25mg Out of stock Inquiry
Batchno.20260522 50mg In stock Inquiry
Batchno.20251205 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250215 10mg / 25mg / 50mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260111 100mg In stock Shanghai Inquiry
Batchno.20251227 250mg In stock Shanghai Inquiry
Batchno.20250605 50mg In stock Shanghai Inquiry
Batchno.20260504 5mg In stock Shanghai Inquiry
  • Product code: SSC-201393
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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 894187-61-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

894187-61-2 / 4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide

Standard CAS: 894187-61-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
894187-61-2
Multi CAS
No
Molecular Formula
C25H23N3O4S
Molecular Weight
461.500000
Exact Mass
461.140927
InChI
InChI=1S/C25H23N3O4S/c1-17-5-11-22(12-6-17)33(30,31)16-23-18(2)32-25(28-23)21-9-7-20(8-10-21)24(29)27-15-19-4-3-13-26-14-19/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKey
DLFCEZOMHBPDGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
23
Fraction Csp3
0.16
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
124.15
TPSA
102.16

LogP / Solubility

WLOGP
4.26
MLOGP
3.78
XLogP3
3.2
Consensus LogP
3.75
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

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

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