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CAS 10450-55-2 FERRIC ACETATE molecular structure lightbox
CAS RN: 10450-55-2

FERRIC ACETATE

  • Product code: SSC-006308
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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 10450-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

10450-55-2 / iron(3+);diacetate;hydroxide

FERRUM ACETICUM | basic iron(III) acetate | A5CF0H2UXG

Standard CAS: 10450-55-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10450-55-2
Multi CAS
Yes
Molecular Formula
C4H7FeO5
Molecular Weight
190.940000
Exact Mass
190.964284
SMILES
CC(=O)[O-].CC(=O)[O-].[OH-].[Fe+3]
InChI
InChI=1S/2C2H4O2.Fe.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3
InChIKey
VYMHFSZGDLIMMG-UHFFFAOYSA-K
Synonyms
FERRUM ACETICUM basic iron(III) acetate A5CF0H2UXG NSC-112208 RefChem:57945

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
23.3
TPSA
110.26

LogP / Solubility

WLOGP
-2.67
MLOGP
-2.35
XLogP3
-2.67
Consensus LogP
-2.56
Log S (ESOL)
0.66
Class (ESOL)
Highly soluble
Log S (Ali)
0.8
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.31
Class (SILICOS-IT)
Highly 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)
-5.78

Drug-likeness / Medicinal Chemistry

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

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