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[ CAS No. 471-34-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 471-34-1
Chemical Structure| 471-34-1
Structure of 471-34-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 471-34-1 ]

CAS No. :471-34-1 MDL No. :MFCD00010906
Formula : CCaO3 Boiling Point : -
Linear Structure Formula :- InChI Key :VTYYLEPIZMXCLO-UHFFFAOYSA-L
M.W : 100.09 Pubchem ID :10112
Synonyms :

Calculated chemistry of [ 471-34-1 ]

Physicochemical Properties

Num. heavy atoms : 5
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) : -7.0 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) : -0.38
Solubility : 41.9 mg/ml ; 0.418 mol/l
Class : Very soluble
Log S (Ali) : -0.74
Solubility : 18.1 mg/ml ; 0.181 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 1.49
Solubility : 3090.0 mg/ml ; 30.8 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.14

Safety of [ 471-34-1 ]

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:
Same Skeleton Products
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