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CAS 1227158-85-1 BAY 87-2243 molecular structure lightbox
CAS RN: 1227158-85-1

BAY 87-2243

Product Availability

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13 package records12 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250723 100mg In stock Inquiry
Batchno.20260629 10mg In stock Inquiry
Batchno.20250707 25mg In stock Inquiry
Batchno.20251009 50mg Out of stock Inquiry
Batchno.20260504 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 100mg In stock Shanghai Inquiry
Batchno.20250107 10mg In stock Shanghai Inquiry
Batchno.20260501 1g In stock Shanghai Inquiry
Batchno.20260305 1mg In stock Shanghai Inquiry
Batchno.20260120 250mg In stock Shanghai Inquiry
Batchno.20250227 25mg In stock Shanghai Inquiry
Batchno.20250720 50mg In stock Shanghai Inquiry
Batchno.20250613 5mg In stock Shanghai Inquiry
  • Product code: SSC-025858
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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 1227158-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1227158-85-1 / 5-[1-[[2-(4-cyclopropylpiperazin-1-yl)-4-pyridinyl]methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

Standard CAS: 1227158-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227158-85-1
Multi CAS
No
Molecular Formula
C26H26F3N7O2
Molecular Weight
525.500000
Exact Mass
525.210008
SMILES
CC1=CC(=NN1CC2=CC(=NC=C2)N3CCN(CC3)C4CC4)C5=NC(=NO5)C6=CC=C(C=C6)OC(F)(F)F
InChI
InChI=1S/C26H26F3N7O2/c1-17-14-22(25-31-24(33-38-25)19-2-6-21(7-3-19)37-26(27,28)29)32-36(17)16-18-8-9-30-23(15-18)35-12-10-34(11-13-35)20-4-5-20/h2-3,6-9,14-15,20H,4-5,10-13,16H2,1H3
InChIKey
CDJNNOJINJAXPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
22
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
9
Molar refractivity
132.52
TPSA
85.34

LogP / Solubility

WLOGP
4.53
MLOGP
4.03
XLogP3
4.7
Consensus LogP
4.42
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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