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[ CAS No. 36589-29-4 ] {[proInfo.proName]}

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Chemical Structure| 36589-29-4
Chemical Structure| 36589-29-4
Structure of 36589-29-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 36589-29-4 ]

CAS No. :36589-29-4 MDL No. :MFCD00038949
Formula : C8H20Cl2N4O2 Boiling Point : -
Linear Structure Formula :- InChI Key :RPFXMGGIQREZOH-ILKKLZGPSA-N
M.W : 275.18 Pubchem ID :45073230
Synonyms :
Chemical Name :H-Arg-OEt.2HCl

Calculated chemistry of [ 36589-29-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.75
Num. rotatable bonds : 8
Num. H-bond acceptors : 4.0
Num. H-bond donors : 4.0
Molar Refractivity : 67.59
TPSA : 114.22 ?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) : -7.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.37
Log Po/w (WLOGP) : 0.74
Log Po/w (MLOGP) : 0.32
Log Po/w (SILICOS-IT) : -0.71
Consensus Log Po/w : 0.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.25
Solubility : 15.4 mg/ml ; 0.0561 mol/l
Class : Very soluble
Log S (Ali) : -2.33
Solubility : 1.28 mg/ml ; 0.00464 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.06
Solubility : 24.1 mg/ml ; 0.0877 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.64

Safety of [ 36589-29-4 ]

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