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CAS 14995-22-3 IRON (III) ISOPROPOXIDE molecular structure lightbox
CAS RN: 14995-22-3

IRON (III) ISOPROPOXIDE

Product Availability

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250402 100mg Out of stock Inquiry
Batchno.20250225 1g In stock Shanghai, Hebei Inquiry
Batchno.20250818 1g Out of stock Inquiry
Batchno.20260505 250mg Out of stock Inquiry
Batchno.20260613 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS14995-22-3
  • Purity/Analytical Methods: >99.0%
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14995-22-3 / iron(3+);tris(propan-2-olate)

Standard CAS: 14995-22-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14995-22-3
Multi CAS
No
Molecular Formula
C9H21FeO3
Molecular Weight
233.110000
Exact Mass
233.084005
SMILES
CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]
InChI
InChI=1S/3C3H7O.Fe/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKey
QUHDSMAREWXWFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
45.41
TPSA
69.18

LogP / Solubility

WLOGP
-0.74
MLOGP
-0.64
XLogP3
-0.74
Consensus LogP
-0.71
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
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)
-4.67

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H336 (100%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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