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CAS 21907-47-1 ZINC TRIFLUOROACETATE molecular structure lightbox
CAS RN: 21907-47-1

ZINC TRIFLUOROACETATE

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260530 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250419 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260515 1kg In stock Shanghai Inquiry
Batchno.20250517 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250103 500g In stock Shanghai Inquiry
Batchno.20251206 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: starshine_CAS21907-47-1
  • Purity/Analytical Methods: >99.0%
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21907-47-1 / zinc bis(2,2,2-trifluoroacetate)

Standard CAS: 21907-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21907-47-1
Multi CAS
No
Molecular Formula
C4F6O4Zn
Molecular Weight
291.400000
Exact Mass
289.899219
SMILES
C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Zn+2]
InChI
InChI=1S/2C2HF3O2.Zn/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKey
VCQWRGCXUWPSGY-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.5
H-bond acceptors
4
Molar refractivity
22.12
TPSA
80.26

LogP / Solubility

WLOGP
-1.41
MLOGP
-1.23
XLogP3
-1.41
Consensus LogP
-1.35
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
Class (SILICOS-IT)
Very 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)
-5.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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