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CAS 7393-46-6 Hexabutoxy-μ-oxodititanium(IV) molecular structure lightbox
CAS RN: 7393-46-6

Hexabutoxy-μ-oxodititanium(IV)

  • Product code: SSC-183356
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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: 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 7393-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

7393-46-6 / hexakis(butan-1-olate);oxygen(2-);bis(titanium(4+))

Standard CAS: 7393-46-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7393-46-6
Multi CAS
Yes
Molecular Formula
C24H54O7Ti2
Molecular Weight
550.400000
Exact Mass
550.282835
InChI
InChI=1S/6C4H9O.O.2Ti/c6*1-2-3-4-5;;;/h6*2-4H2,1H3;;;/q6*-1;-2;2*+4
InChIKey
ZDWZVLBVBRVDCM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
119.34
TPSA
166.86

LogP / Solubility

WLOGP
0.76
MLOGP
0.71
XLogP3
0.76
Consensus LogP
0.74
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.54

Drug-likeness / Medicinal Chemistry

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

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