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CAS 873225-46-8 IKK 16 molecular structure lightbox
CAS RN: 873225-46-8

IKK 16

Product Availability

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12 package records10 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250408 100mg In stock Inquiry
Batchno.20260505 10mg In stock Inquiry
Batchno.20251102 1mg In stock Inquiry
Batchno.20250127 50mg In stock Inquiry
Batchno.20260601 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250308 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251016 1mg / 5mg / 25mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251022 100mg In stock Shanghai Inquiry
Batchno.20250401 1g Out of stock Inquiry
Batchno.20251014 250mg In stock Shanghai Inquiry
Batchno.20260214 25mg In stock Shanghai Inquiry
Batchno.20250604 50mg In stock Shanghai Inquiry
  • Product code: SSC-197142
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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 873225-46-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

873225-46-8 / [4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

Standard CAS: 873225-46-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
873225-46-8
Multi CAS
Yes
Molecular Formula
C28H29N5OS
Molecular Weight
483.600000
Exact Mass
483.209282
InChI
InChI=1S/C28H29N5OS/c34-27(33-17-12-23(13-18-33)32-15-3-4-16-32)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)35-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,29,30,31)
InChIKey
BWZJBXAPRCVCKQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
142.31
TPSA
61.36

LogP / Solubility

WLOGP
5.8
MLOGP
5.14
XLogP3
5.3
Consensus LogP
5.41
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-7.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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