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CAS 7425-80-1 Tetraisobutyl Orthotitanate molecular structure lightbox
CAS RN: 7425-80-1

Tetraisobutyl Orthotitanate

  • Product code: SSC-183707
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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: 100g
  • 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 7425-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

7425-80-1 / tetrakis(2-methylpropan-1-olate);titanium(4+)

Standard CAS: 7425-80-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7425-80-1
Multi CAS
Yes
Molecular Formula
C16H36O4Ti
Molecular Weight
340.320000
Exact Mass
340.209300
InChI
InChI=1S/4C4H9O.Ti/c4*1-4(2)3-5;/h4*4H,3H2,1-2H3;/q4*-1;+4
InChIKey
QUVMSYUGOKEMPX-UHFFFAOYSA-N

Physical Properties

Physical Description
Tetraisobutyl titanate appears as a dark yellow oily liquid with an alcohol-like odor. Insoluble in water and about the same density as water. May irritate or burn on contact.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
78.82
TPSA
92.24

LogP / Solubility

WLOGP
0.01
MLOGP
0.02
XLogP3
0.01
Consensus LogP
0.01
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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