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CAS 10031-32-0 CALCIUM IODATE molecular structure lightbox
CAS RN: 10031-32-0

CALCIUM IODATE

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Batchno.20250512 100g In stock Inquiry
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  • Product code: starshine_CAS10031-32-0
  • Purity/Analytical Methods: >99.0%
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10031-32-0 / calcium;diiodate;hydrate

CALCIUM IODATE | Lautarite | calcium;diiodate

Standard CAS: 10031-32-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10031-32-0
Multi CAS
Yes
Molecular Formula
CaH2I2O7
Molecular Weight
407.900000
Exact Mass
407.751590
SMILES
O.[O-]I(=O)=O.[O-]I(=O)=O.[Ca+2]
InChI
InChI=1S/Ca.2HIO3.H2O/c;2*2-1(3)4;/h;2*(H,2,3,4);1H2/q+2;;;/p-2
InChIKey
LHJRUHLVRPQAJF-UHFFFAOYSA-L
Synonyms
CALCIUM IODATE Lautarite calcium;diiodate L8MN4Y57BR calcium diiodate

Computed Properties

Structural Parameters

Heavy atom count
10
H-bond acceptors
6
H-bond donors
1
Molar refractivity
9.37
TPSA
169.86

LogP / Solubility

WLOGP
-14.33
MLOGP
-12.59
XLogP3
-14.33
Consensus LogP
-13.75
Log S (ESOL)
6.66
Class (ESOL)
Highly soluble
Log S (Ali)
7.44
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.58
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)
-15.38

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Oxidizer Irritant
Signal
Danger
GHS Hazard Statements
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P220, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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