CAS RN: 15627-86-8
CALCIUM PERCHLORATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS15627-86-8
- Purity/Analytical Methods: >99.0%
15627-86-8 / CALCIUM PERCHLORATE
Basic Information
CAS
15627-86-8
Multi CAS
No
Molecular Formula
CaClH3O5
Molecular Weight
158.550000
Exact Mass
157.929492
SMILES
O.OCl(=O)(=O)=O.[Ca]
InChI
InChI=1S/Ca.2ClHO4.4H2O/c;2*2-1(3,4)5;;;;/h;2*(H,2,3,4,5);4*1H2/q+2;;;;;;/p-2
InChIKey
YGFQNBSXMKXDTH-UHFFFAOYSA-L
Physical Properties
Physical Description
Odorless hygroscopic solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
11.59
TPSA
120.91
LogP / Solubility
WLOGP
-5.33
MLOGP
-4.69
XLogP3
-5.33
Consensus LogP
-5.12
Log S (ESOL)
2.53
Class (ESOL)
Highly soluble
Log S (Ali)
2.99
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.73
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)
-7.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
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 (97.5%): 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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