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[ CAS No. 1887-02-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1887-02-1
Chemical Structure| 1887-02-1
Structure of 1887-02-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1887-02-1 ]

CAS No. :1887-02-1 MDL No. :MFCD00036127
Formula : C6H2Na2O6 Boiling Point : -
Linear Structure Formula :- InChI Key :SOSMJTGSYNGZAV-UHFFFAOYSA-L
M.W : 216.06 Pubchem ID :74675
Synonyms :

Calculated chemistry of [ 1887-02-1 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 30.7
TPSA : 120.72 Ų

Pharmacokinetics

GI absorption : High
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) : -8.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : -20.75
Log Po/w (XLOGP3) : -0.55
Log Po/w (WLOGP) : -0.46
Log Po/w (MLOGP) : -3.6
Log Po/w (SILICOS-IT) : -1.01
Consensus Log Po/w : -5.27

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -0.83
Solubility : 31.7 mg/ml ; 0.147 mol/l
Class : Very soluble
Log S (Ali) : -1.52
Solubility : 6.59 mg/ml ; 0.0305 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 1.04
Solubility : 2360.0 mg/ml ; 10.9 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.1

Safety of [ 1887-02-1 ]

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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