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CAS 509107-34-0 COD.IR.CL.IMES molecular structure lightbox
CAS RN: 509107-34-0

COD.IR.CL.IMES

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250930 100mg In stock Shanghai Inquiry
Batchno.20250710 1g Out of stock Inquiry
Batchno.20250921 250mg In stock Shanghai Inquiry
Batchno.20251211 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250911 50mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-157671
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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 509107-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

509107-34-0 / 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;carbanide;(1Z,5Z)-cycloocta-1,5-diene;iridium;chloride

Standard CAS: 509107-34-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
509107-34-0
Multi CAS
Yes
Molecular Formula
C31H43CLIRN2-4
Molecular Weight
671.400000
Exact Mass
671.274400
InChI
InChI=1S/C21H25N2.C8H12.2CH3.ClH.Ir/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-2-4-6-8-7-5-3-1;;;;/h7-13H,1-6H3;1-2,7-8H,3-6H2;2*1H3;1H;/q-1;;2*-1;;/p-1/b;2-1-,8-7-;;;;
InChIKey
MNQVIYGJCPMULZ-NSNKXZTFSA-M

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
149.28
TPSA
6.48

LogP / Solubility

WLOGP
6.03
MLOGP
5.36
XLogP3
6.03
Consensus LogP
5.81
Log S (ESOL)
-7.92
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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