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[ CAS No. 27848-80-2 ] {[proInfo.proName]}

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Chemical Structure| 27848-80-2
Chemical Structure| 27848-80-2
Structure of 27848-80-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 27848-80-2 ]

CAS No. :27848-80-2 MDL No. :MFCD00065512
Formula : C3H5LiO3 Boiling Point : -
Linear Structure Formula :- InChI Key :GKQWYZBANWAFMQ-DKWTVANSSA-M
M.W : 96.01 Pubchem ID :23687877
Synonyms :
Chemical Name :Lithium (S)-2-hydroxypropanoate

Calculated chemistry of [ 27848-80-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 17.53
TPSA : 60.36 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.4 cm/s

Lipophilicity

Log Po/w (iLOGP) : -12.79
Log Po/w (XLOGP3) : -0.72
Log Po/w (WLOGP) : -1.88
Log Po/w (MLOGP) : -0.85
Log Po/w (SILICOS-IT) : -0.8
Consensus Log Po/w : -3.41

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.08
Solubility : 117.0 mg/ml ; 1.21 mol/l
Class : Highly soluble
Log S (Ali) : -0.07
Solubility : 81.4 mg/ml ; 0.848 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.98
Solubility : 923.0 mg/ml ; 9.62 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.52

Safety of [ 27848-80-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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