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[ CAS No. 554-13-2 ] {[proInfo.proName]}

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Chemical Structure| 554-13-2
Chemical Structure| 554-13-2
Structure of 554-13-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 554-13-2 ]

CAS No. :554-13-2 MDL No. :MFCD00011084
Formula : CLi2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :XGZVUEUWXADBQD-UHFFFAOYSA-L
M.W : 73.89 Pubchem ID :11125
Synonyms :
Li2CO3

Calculated chemistry of [ 554-13-2 ]

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 6.77
TPSA : 63.19 Ų

Pharmacokinetics

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) : -6.84 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.13
Log Po/w (WLOGP) : -2.45
Log Po/w (MLOGP) : -1.6
Log Po/w (SILICOS-IT) : -0.44
Consensus Log Po/w : -0.92

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.22
Solubility : 44.9 mg/ml ; 0.608 mol/l
Class : Very soluble
Log S (Ali) : -0.74
Solubility : 13.3 mg/ml ; 0.181 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 1.49
Solubility : 2280.0 mg/ml ; 30.8 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.76

Safety of [ 554-13-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P301+P312+P330-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H319-H351-H361 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 554-13-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 554-13-2 ]
  • Downstream synthetic route of [ 554-13-2 ]

[ 554-13-2 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 111-25-1 ]
  • [ 554-13-2 ]
  • [ 57272-09-0 ]
  • [ 67399-93-3 ]
  • [ 18979-55-0 ]
Reference: [1] Bulletin de la Societe Chimique de France, 1993, vol. 130, p. 475 - 480
  • 2
  • [ 554-13-2 ]
  • [ 1310-66-3 ]
Reference: [1] Rev. Prod. Chim., 1930, vol. 33, p. 161 - 165
[2] Rev. Prod. Chim., 1930, vol. 33, p. 93 - 100
[3] Mitt. Arbeitsbereich - Metallges. AG, 1929, vol. 1, # 2, p. 13 - 20
[4] , Gmelin Handbook: Li: SVol., 5, page 136 - 139,
  • 3
  • [ 7732-18-5 ]
  • [ 554-13-2 ]
  • [ 1310-66-3 ]
Reference: [1] Russian Journal of Applied Chemistry, 2004, vol. 77, # 7, p. 1108 - 1116
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