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[ CAS No. 51219-19-3 ] Boc-Arg(Z)2-OH

Cat. No.: A111047
Chemical Structure| 51219-19-3
Chemical Structure| 51219-19-3
Structure of 51219-19-3 * Storage: Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 250mg $17.00 Inquiry Inquiry
97% 1g $29.00 Inquiry Inquiry
97% 5g $88.00 Inquiry Inquiry
97% 25g $385.00 Inquiry Inquiry

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Product Details of [ 51219-19-3 ]

CAS No. :51219-19-3 MDL No. :MFCD00236824
Formula : C27H34N4O8 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 542.58 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 51219-19-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 39
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.37
Num. rotatable bonds : 19
Num. H-bond acceptors : 9.0
Num. H-bond donors : 4.0
Molar Refractivity : 142.11
TPSA : 167.35 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.34 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.22
Log Po/w (XLOGP3) : 4.6
Log Po/w (WLOGP) : 3.94
Log Po/w (MLOGP) : 2.21
Log Po/w (SILICOS-IT) : 2.12
Consensus Log Po/w : 3.22

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 2.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -5.08
Solubility : 0.00456 mg/ml ; 0.0000084 mol/l
Class : Moderately soluble
Log S (Ali) : -7.84
Solubility : 0.00000786 mg/ml ; 0.0000000145 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.94
Solubility : 0.000619 mg/ml ; 0.00000114 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.6

Safety of [ 51219-19-3 ]

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:
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