CAS RN: 2388-10-5

LITHIUM ISOPROPOXIDE

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  • Product code: starshine_CAS2388-10-5
  • Purity/Analytical Methods: >99.0%
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2388-10-5 / lithium propan-2-olate

Standard CAS: 2388-10-5 Multi CAS: No

Basic Information

CAS
2388-10-5
Multi CAS
No
Molecular Formula
C3H7LiO
Molecular Weight
66.100000
Exact Mass
66.065693
SMILES
[Li+].CC(C)[O-]
InChI
InChI=1S/C3H7O.Li/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKey
HAUKUGBTJXWQMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
15.14
TPSA
23.06

LogP / Solubility

WLOGP
-3.24
MLOGP
-2.87
XLogP3
-3.24
Consensus LogP
-3.12
Log S (ESOL)
1.79
Class (ESOL)
Highly soluble
Log S (Ali)
2.24
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.6
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)
-5.42

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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