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[ CAS No. 28862-80-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 28862-80-8
Chemical Structure| 28862-80-8
Structure of 28862-80-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 28862-80-8 ]

CAS No. :28862-80-8 MDL No. :MFCD00026043
Formula : C13H17NO4S Boiling Point : No data available
Linear Structure Formula :- InChI Key :FPKHNNQXKZMOJJ-LLVKDONJSA-N
M.W : 283.34 Pubchem ID :1712153
Synonyms :
Chemical Name :Z-D-Met-OH

Calculated chemistry of [ 28862-80-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 9
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 74.09
TPSA : 100.93 ?2

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) : -6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.14
Log Po/w (XLOGP3) : 2.07
Log Po/w (WLOGP) : 1.97
Log Po/w (MLOGP) : 1.7
Log Po/w (SILICOS-IT) : 1.68
Consensus Log Po/w : 1.91

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.54
Solubility : 0.816 mg/ml ; 0.00288 mol/l
Class : Soluble
Log S (Ali) : -3.82
Solubility : 0.043 mg/ml ; 0.000152 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.27
Solubility : 0.153 mg/ml ; 0.000538 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.08

Safety of [ 28862-80-8 ]

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