CAS RN: 71626-98-7
CALCIUM IODIDE HYDRATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS71626-98-7
- Purity/Analytical Methods: >99.0%
71626-98-7 / calcium;diiodide;hydrate
Basic Information
CAS
71626-98-7
Multi CAS
Yes
Molecular Formula
CAH2I2O
Molecular Weight
311.900000
Exact Mass
311.782100
InChI
InChI=1S/Ca.2HI.H2O/h;2*1H;1H2/q+2;;;/p-2
InChIKey
XIRQETYMJRSWOH-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
9.37
TPSA
31.5
LogP / Solubility
WLOGP
-7.2
MLOGP
-6.32
XLogP3
-7.2
Consensus LogP
-6.91
Log S (ESOL)
2.76
Class (ESOL)
Highly soluble
Log S (Ali)
3.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.29
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)
-9.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1
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![CAS 71636-38-9 N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71636-38-9.gif)
