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CAS 1449110-90-0 [2,2′-bis (4-tert-butylpyridine)] bis [2- (4-fluorophenyl) pyridine] iridium (III) hexafluorophosphate molecular structure lightbox
CAS RN: 1449110-90-0

[2,2′-bis (4-tert-butylpyridine)] bis [2- (4-fluorophenyl) pyridine] iridium (III) hexafluorophosphate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250524 1g Out of stock Inquiry
Batchno.20250203 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-056274
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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 1449110-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1449110-90-0 / 7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol

Standard CAS: 1449110-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1449110-90-0
Multi CAS
No
Molecular Formula
C31H52O
Molecular Weight
440.700000
Exact Mass
440.401816
SMILES
CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
InChI
InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3
InChIKey
BDHQMRXFDYJGII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.94
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
135.27
TPSA
20.23

LogP / Solubility

WLOGP
8.41
MLOGP
7.43
XLogP3
10.3
Consensus LogP
8.71
Log S (ESOL)
-7.54
Class (ESOL)
Insoluble
Log S (Ali)
-9.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.11
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)
0.57

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
10

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