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[ CAS No. 207300-91-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 207300-91-2
Chemical Structure| 207300-91-2
Structure of 207300-91-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 207300-91-2 ]

CAS No. :207300-91-2 MDL No. :MFCD00149549
Formula : C6H15NaO4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :CLCGFJYKZGFGSQ-UHFFFAOYSA-M
M.W : 206.24 Pubchem ID :23696962
Synonyms :

Calculated chemistry of [ 207300-91-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 42.69
TPSA : 74.81 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : -4.82
Log Po/w (XLOGP3) : 0.97
Log Po/w (WLOGP) : 2.13
Log Po/w (MLOGP) : 0.25
Log Po/w (SILICOS-IT) : 0.44
Consensus Log Po/w : -0.21

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.4
Solubility : 8.21 mg/ml ; 0.0398 mol/l
Class : Very soluble
Log S (Ali) : -2.13
Solubility : 1.53 mg/ml ; 0.00743 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.63
Solubility : 4.79 mg/ml ; 0.0232 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.33

Safety of [ 207300-91-2 ]

Signal Word:Warning Class:
Precautionary Statements:P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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