CAS RN: 85144-11-2
LITHIUM CHLORIDE HYDRATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS85144-11-2
- Purity/Analytical Methods: >99.0%
85144-11-2 / lithium;chloride;hydrate
Basic Information
CAS
85144-11-2
Multi CAS
Yes
Molecular Formula
CLH2LIO
Molecular Weight
60.400000
Exact Mass
59.995421
InChI
InChI=1S/ClH.Li.H2O/h1H;;1H2/q;+1;/p-1
InChIKey
VXJIMUZIBHBWBV-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
3.61
TPSA
31.5
LogP / Solubility
WLOGP
-6.82
MLOGP
-6.02
XLogP3
-6.82
Consensus LogP
-6.55
Log S (ESOL)
4.08
Class (ESOL)
Highly soluble
Log S (Ali)
4.87
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.61
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)
-7.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
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