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CAS 17501-44-9 Tetrakis(2,4-pentanedionato)zirconium(IV) molecular structure lightbox
CAS RN: 17501-44-9

Tetrakis(2,4-pentanedionato)zirconium(IV)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250725 100g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251205 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250826 500g In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-076753
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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: 500g
  • 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 17501-44-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

17501-44-9 / tetrakis(pentane-2,4-dione);zirconium(4+)

Standard CAS: 17501-44-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
17501-44-9
Multi CAS
No
Molecular Formula
C20H28O8Zr
Molecular Weight
487.700000
Exact Mass
486.083117
SMILES
CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Zr+4]
InChI
InChI=1S/4C5H7O2.Zr/c4*1-4(6)3-5(2)7;/h4*3H,1-2H3;/q4*-1;+4
InChIKey
DFPGFWYWSAYLCW-UHFFFAOYSA-N

Physical Properties

Physical Description
Off-white powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.4
Rotatable bonds
8
H-bond acceptors
8
Molar refractivity
102.65
TPSA
136.56

LogP / Solubility

WLOGP
1.47
MLOGP
1.33
XLogP3
1.47
Consensus LogP
1.42
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-4.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (64.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.4%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (66.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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