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CAS 35138-23-9 BIS(1,5-CYCLOOCTADIENE)IRIDIUM (I) TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 35138-23-9

BIS(1,5-CYCLOOCTADIENE)IRIDIUM (I) TETRAFLUOROBORATE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260628 1g In stock Shanghai Inquiry
Batchno.20250403 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260210 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS35138-23-9
  • Purity/Analytical Methods: >99.0%
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35138-23-9 / bis((1Z,5Z)-cycloocta-1,5-diene);iridium;tetrafluoroborate

Standard CAS: 35138-23-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35138-23-9
Multi CAS
Yes
Molecular Formula
C16H24BF4IR
Molecular Weight
495.400000
Exact Mass
496.153640
InChI
InChI=1S/2C8H12.BF4.Ir/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;/b2*2-1-,8-7-;;
InChIKey
ZFVHFEXIVQSRNV-QMDOQEJBSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.5
H-bond acceptors
5
Molar refractivity
83.68
TPSA
0.0000

LogP / Solubility

WLOGP
6.64
MLOGP
5.88
XLogP3
6.64
Consensus LogP
6.39
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-8.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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