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[ CAS No. 6382-93-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6382-93-0
Chemical Structure| 6382-93-0
Structure of 6382-93-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 6382-93-0 ]

CAS No. :6382-93-0 MDL No. :MFCD00063009
Formula : C14H20N4O4 Boiling Point : -
Linear Structure Formula :- InChI Key :SJSSFUMSAFMFNM-LLVKDONJSA-N
M.W : 308.33 Pubchem ID :1581108
Synonyms :
Z-D-Arg-OH
Chemical Name :Z-D-Arg-OH

Calculated chemistry of [ 6382-93-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.36
Num. rotatable bonds : 11
Num. H-bond acceptors : 5.0
Num. H-bond donors : 5.0
Molar Refractivity : 80.4
TPSA : 137.53 ?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) : -7.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.98
Log Po/w (XLOGP3) : 0.61
Log Po/w (WLOGP) : 0.48
Log Po/w (MLOGP) : 0.7
Log Po/w (SILICOS-IT) : 0.09
Consensus Log Po/w : 0.57

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.61
Solubility : 7.54 mg/ml ; 0.0244 mol/l
Class : Very soluble
Log S (Ali) : -3.07
Solubility : 0.261 mg/ml ; 0.000847 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.95
Solubility : 0.345 mg/ml ; 0.00112 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.07

Safety of [ 6382-93-0 ]

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