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[ CAS No. 4793-38-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 4793-38-8
Chemical Structure| 4793-38-8
Chemical Structure| 4793-38-8
Structure of 4793-38-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 4793-38-8 ]

CAS No. :4793-38-8 MDL No. :MFCD30747011
Formula : C12H15ClN2O5S Boiling Point : -
Linear Structure Formula :- InChI Key :CWQFVCNJRVCZFP-UHFFFAOYSA-N
M.W : 334.78 Pubchem ID :44432678
Synonyms :

Calculated chemistry of [ 4793-38-8 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.42
Num. rotatable bonds : 5
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 76.91
TPSA : 127.1 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) : -7.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.23
Log Po/w (XLOGP3) : 1.58
Log Po/w (WLOGP) : 2.17
Log Po/w (MLOGP) : -0.83
Log Po/w (SILICOS-IT) : 0.5
Consensus Log Po/w : 0.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.79
Solubility : 0.54 mg/ml ; 0.00161 mol/l
Class : Soluble
Log S (Ali) : -3.86
Solubility : 0.0462 mg/ml ; 0.000138 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.0
Solubility : 0.335 mg/ml ; 0.001 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.85

Safety of [ 4793-38-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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