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CAS 23519-77-9 Zirconium(IV) Propoxide (ca. 70% in 1-Propanol) molecular structure lightbox
CAS RN: 23519-77-9

Zirconium(IV) Propoxide (ca. 70% in 1-Propanol)

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250125 25ml / 100ml / 500ml / 2.5L Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260320 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Hebei 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250508 10g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: ICTZ0017
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23519-77-9 / tetrakis(propan-1-olate);zirconium(4+)

Standard CAS: 23519-77-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
23519-77-9
Multi CAS
No
Molecular Formula
C12H28O4Zr
Molecular Weight
327.570000
Exact Mass
326.103458
SMILES
CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4]
InChI
InChI=1S/4C3H7O.Zr/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4
InChIKey
XPGAWFIWCWKDDL-UHFFFAOYSA-N

Physical Properties

Physical Description
Tetra-n-propyl zirconate appears as a yellow-colored liquid with an alcohol-like odor. Has about the same density as water and is insoluble in water. Vapors are heavier than air. May be irritating to skin, eyes, and mucous membranes. Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
60.63
TPSA
92.24

LogP / Solubility

WLOGP
-0.98
MLOGP
-0.84
XLogP3
-0.98
Consensus LogP
-0.93
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-5.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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