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CAS 854623-98-6 pre-ELM-11 molecular structure lightbox
CAS RN: 854623-98-6

pre-ELM-11

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250201 1g In stock Wuhan, Chengdu Inquiry
Batchno.20260421 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20251126 5g Out of stock Inquiry
  • Product code: SSC-193853
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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 854623-98-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

854623-98-6 / copper;bis(4-pyridin-4-ylpyridine);ditetrafluoroborate;dihydrate

Standard CAS: 854623-98-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
854623-98-6
Multi CAS
Yes
Molecular Formula
B2C21F8H20N4O2U
Molecular Weight
585.600000
Exact Mass
585.094059
InChI
InChI=1S/2C10H8N2.2BF4.Cu.2H2O/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*2-1(3,4)5;;;/h2*1-8H;;;;2*1H2/q;;2*-1;+2;;
InChIKey
CZMKIFDEABRNNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
122.54
TPSA
114.56

LogP / Solubility

WLOGP
5.24
MLOGP
4.65
XLogP3
5.24
Consensus LogP
5.04
Log S (ESOL)
-7.12
Class (ESOL)
Insoluble
Log S (Ali)
-8.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.05
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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