Alternatived Products of [ 36589-29-4 ]
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 |
Categories