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CAS 24356-01-2 TETRABENZYLZIRCONIUM molecular structure lightbox
CAS RN: 24356-01-2

TETRABENZYLZIRCONIUM

  • Product code: SSC-118635
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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: 5g
  • 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 24356-01-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

24356-01-2 / methanidylbenzene;zirconium(4+)

Standard CAS: 24356-01-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24356-01-2
Multi CAS
No
Molecular Formula
C28H28Zr
Molecular Weight
455.700000
Exact Mass
454.123800
SMILES
[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[Zr+4]
InChI
InChI=1S/4C7H7.Zr/c4*1-7-5-3-2-4-6-7;/h4*2-6H,1H2;/q4*-1;+4
InChIKey
QSLMQGXOMLSFAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
24
H-bond acceptors
4
Molar refractivity
123.6
TPSA
0.0000

LogP / Solubility

WLOGP
7.47
MLOGP
6.61
XLogP3
7.47
Consensus LogP
7.18
Log S (ESOL)
-7.99
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.82
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.19

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
3

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