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CAS 2307271-69-6 [Ir (dFOMeppy)2(5, 5 DCF)3Bpy)] PF6 molecular structure lightbox
CAS RN: 2307271-69-6

[Ir (dFOMeppy)2(5, 5 DCF)3Bpy)] PF6

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 100mg In stock Shanghai Inquiry
Batchno.20250707 1g In stock Shanghai Inquiry
Batchno.20250304 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250519 5g Out of stock Inquiry
  • Product code: SSC-112424
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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: ＞97%
  • 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 2307271-69-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2307271-69-6 / [Ir (dFOMeppy)2(5, 5 DCF)3Bpy)] PF6

Standard CAS: 2307271-69-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2307271-69-6
Multi CAS
No
Molecular Formula
C36H22F16IrN4O2P-
Molecular Weight
1069.700000
Exact Mass
1070.085410
SMILES
COC1=CN=C(C=C1)C2=C=CC(=C[C]2F)F.COC1=CN=C(C=C1)C2=C=CC(=C[C]2F)F.C1=CC(=NC=C1C(F)(F)F)C2=NC=C(C=C2)C(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir]
InChI
InChI=1S/C12H6F6N2.2C12H8F2NO.F6P.Ir/c13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;2*1-16-9-3-5-12(15-7-9)10-4-2-8(13)6-11(10)14;1-7(2,3,4,5)6;/h1-6H;2*2-3,5-7H,1H3;;/q;;;-1;
InChIKey
FTQUCJZXFAEZEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
24
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
182.68
TPSA
70.02

LogP / Solubility

WLOGP
13.56
MLOGP
12.03
XLogP3
13.56
Consensus LogP
13.05
Log S (ESOL)
-14.98
Class (ESOL)
Insoluble
Log S (Ali)
-18.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.46
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.38

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
5.5

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