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[ CAS No. 6100-18-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6100-18-1
Chemical Structure| 6100-18-1
Structure of 6100-18-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 6100-18-1 ]

CAS No. :6100-18-1 MDL No. :MFCD00149475
Formula : C4H10K2O7 Boiling Point : -
Linear Structure Formula :- InChI Key :PFTLHQXTAGELAZ-UHFFFAOYSA-L
M.W : 248.31 Pubchem ID :57371614
Synonyms :

Calculated chemistry of [ 6100-18-1 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 3
Num. H-bond acceptors : 7.0
Num. H-bond donors : 3.0
Molar Refractivity : 30.14
TPSA : 107.95 Ų

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) : -9.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : -15.64
Log Po/w (XLOGP3) : -2.01
Log Po/w (WLOGP) : -2.93
Log Po/w (MLOGP) : -2.98
Log Po/w (SILICOS-IT) : -0.63
Consensus Log Po/w : -4.84

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 : 302.0 mg/ml ; 1.22 mol/l
Class : Highly soluble
Log S (Ali) : 0.27
Solubility : 460.0 mg/ml ; 1.85 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.61
Solubility : 1020.0 mg/ml ; 4.11 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.85

Safety of [ 6100-18-1 ]

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