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CAS 14476-16-5 Siderite (Fe(CO3))(8CI,9CI) molecular structure lightbox
CAS RN: 14476-16-5

Siderite (Fe(CO3))(8CI,9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250525 100g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS14476-16-5
  • Purity/Analytical Methods: >99.0%
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14476-16-5 / carbonic acid;iron

Standard CAS: 14476-16-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
14476-16-5
Multi CAS
No
Molecular Formula
CH2FeO3
Molecular Weight
117.870000
Exact Mass
117.935329
SMILES
C(=O)(O)O.[Fe]
InChI
InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
InChIKey
RAQDACVRFCEPDA-UHFFFAOYSA-L

Physical Properties

Physical Description
Light to dark brown mineral; [Merck Index]

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
1
H-bond donors
2
Molar refractivity
10.65
TPSA
57.53

LogP / Solubility

WLOGP
0.22
MLOGP
0.18
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
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)
-3.28

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

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