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CAS 2452-01-9 Zinc(II) Dodecanoate molecular structure lightbox
CAS RN: 2452-01-9

Zinc(II) Dodecanoate

  • Product code: SSC-119183
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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 2452-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

2452-01-9 / zinc bis(dodecanoate)

Standard CAS: 2452-01-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
2452-01-9
Multi CAS
No
Molecular Formula
C24H46O4Zn
Molecular Weight
464.000000
Exact Mass
462.268752
SMILES
CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Zn+2]
InChI
InChI=1S/2C12H24O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);/q;;+2/p-2
InChIKey
GPYYEEJOMCKTPR-UHFFFAOYSA-L

Physical Properties

Physical Description
Pellets or Large Crystals; Dry Powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.92
Rotatable bonds
20
H-bond acceptors
4
Molar refractivity
113.7
TPSA
80.26

LogP / Solubility

WLOGP
5.31
MLOGP
4.71
XLogP3
5.31
Consensus LogP
5.11
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.48
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 190 of 191 companies (only 0.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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