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[ CAS No. 17636-10-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 17636-10-1
Chemical Structure| 17636-10-1
Structure of 17636-10-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 17636-10-1 ]

CAS No. :17636-10-1 MDL No. :MFCD00043148
Formula : C3H7NaO3S2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :FRTIVUOKBXDGPD-UHFFFAOYSA-M
M.W : 178.21 Pubchem ID :23672317
Synonyms :

Calculated chemistry of [ 17636-10-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 33.15
TPSA : 104.38 ?2

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) : -7.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : -4.41
Log Po/w (XLOGP3) : -0.24
Log Po/w (WLOGP) : 0.93
Log Po/w (MLOGP) : -0.14
Log Po/w (SILICOS-IT) : -0.18
Consensus Log Po/w : -0.81

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.6
Solubility : 45.2 mg/ml ; 0.254 mol/l
Class : Very soluble
Log S (Ali) : -1.49
Solubility : 5.71 mg/ml ; 0.0321 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.54
Solubility : 51.3 mg/ml ; 0.288 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.84

Safety of [ 17636-10-1 ]

Signal Word:Danger Class:9
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P362+P364-P403+P233-P501 UN#:3077
Hazard Statements:H315-H318-H335-H411 Packing Group:
GHS Pictogram:
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