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CAS 9004-66-4 Iron-dextran molecular structure lightbox
CAS RN: 9004-66-4

Iron-dextran

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  • Product code: starshine_CAS9004-66-4
  • Purity/Analytical Methods: >99.0%
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9004-66-4 / iron;sulfuric acid

Standard CAS: 9004-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
9004-66-4
Multi CAS
Yes
Molecular Formula
FEH2O4S
Molecular Weight
153.930000
Exact Mass
153.902315
InChI
InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)
InChIKey
MVZXTUSAYBWAAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
14.18
TPSA
74.6

LogP / Solubility

WLOGP
-0.66
MLOGP
-0.58
XLogP3
-0.66
Consensus LogP
-0.63
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.12
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12

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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