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[ CAS No. 283158-18-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 283158-18-9
Chemical Structure| 283158-18-9
Structure of 283158-18-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 283158-18-9 ]

CAS No. :283158-18-9 MDL No. :MFCD00149482
Formula : C9H9NO5S Boiling Point : -
Linear Structure Formula :- InChI Key :WUXYGIQVWKDVTJ-UHFFFAOYSA-N
M.W : 243.24 Pubchem ID :2723649
Synonyms :

Calculated chemistry of [ 283158-18-9 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 56.67
TPSA : 105.1 Ų

Pharmacokinetics

GI absorption : High
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) : -7.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.47
Log Po/w (XLOGP3) : 0.05
Log Po/w (WLOGP) : 2.2
Log Po/w (MLOGP) : -0.45
Log Po/w (SILICOS-IT) : 0.26
Consensus Log Po/w : 0.51

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.78
Solubility : 4.07 mg/ml ; 0.0167 mol/l
Class : Very soluble
Log S (Ali) : -1.81
Solubility : 3.77 mg/ml ; 0.0155 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.48
Solubility : 0.8 mg/ml ; 0.00329 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 283158-18-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P201-P280-P305+P351+P338-P308+P313-P337+P313 UN#:N/A
Hazard Statements:H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 283158-18-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 283158-18-9 ]
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