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CAS 12246-51-4 Chlorobis(cyclooctene)iridium(I) Dimer molecular structure lightbox
CAS RN: 12246-51-4

Chlorobis(cyclooctene)iridium(I) Dimer

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250914 250mg / 1g / 5g Confirm by inquiry Guangdong, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260227 100mg In stock Shanghai Inquiry
Batchno.20250701 1g In stock Shanghai Inquiry
Batchno.20250304 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250311 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 100mg In stock Shanghai Inquiry
Batchno.20250524 1g In stock Shanghai Inquiry
Batchno.20250306 250mg In stock Shanghai Inquiry
Batchno.20260401 5g In stock Shanghai Inquiry
  • Product code: SSC-025386
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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 12246-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

12246-51-4 / cyclooctene;bis(iridium);dichloride

Standard CAS: 12246-51-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
12246-51-4
Multi CAS
No
Molecular Formula
C32H56Cl2Ir2-2
Molecular Weight
896.100000
Exact Mass
894.299420
SMILES
C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.C1CC/C=C\CCC1.[Cl-].[Cl-].[Ir].[Ir]
InChI
InChI=1S/4C8H14.2ClH.2Ir/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/p-2/b4*2-1-;;;;
InChIKey
CJJIQMGSHWWMCK-XFCUKONHSA-L

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
147.37
TPSA
0.0000

LogP / Solubility

WLOGP
5.59
MLOGP
5
XLogP3
5.59
Consensus LogP
5.39
Log S (ESOL)
-8.92
Class (ESOL)
Insoluble
Log S (Ali)
-10.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.22

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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