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[ CAS No. 143577-46-2 ] {[proInfo.proName]}

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Chemical Structure| 143577-46-2
Chemical Structure| 143577-46-2
Structure of 143577-46-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 143577-46-2 ]

CAS No. :143577-46-2 MDL No. :MFCD26406787
Formula : C5H9NO3S Boiling Point : -
Linear Structure Formula :- InChI Key :WFFHPXGNIIMFHE-RXMQYKEDSA-N
M.W : 163.20 Pubchem ID :22844977
Synonyms :

Calculated chemistry of [ 143577-46-2 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 38.78
TPSA : 54.99 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) : -7.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.28
Log Po/w (XLOGP3) : -0.11
Log Po/w (WLOGP) : 0.43
Log Po/w (MLOGP) : -0.12
Log Po/w (SILICOS-IT) : -0.28
Consensus Log Po/w : 0.24

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -0.78
Solubility : 26.9 mg/ml ; 0.165 mol/l
Class : Very soluble
Log S (Ali) : -0.59
Solubility : 41.8 mg/ml ; 0.256 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.02
Solubility : 155.0 mg/ml ; 0.948 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.01

Safety of [ 143577-46-2 ]

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:

Application In Synthesis of [ 143577-46-2 ]

* 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.

  • Upstream synthesis route of [ 143577-46-2 ]
  • Downstream synthetic route of [ 143577-46-2 ]

[ 143577-46-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 68832-13-3 ]
  • [ 143577-46-2 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 1, p. 188 - 193
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