Alternatived Products of [ 26340-89-6 ]
Product Details of [ 26340-89-6 ]
CAS No. : | 26340-89-6 |
MDL No. : | MFCD00038948 |
Formula : |
C7H18Cl2N4O2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | XQYZOBNLCUAXLF-XRIGFGBMSA-N |
M.W : |
261.15
|
Pubchem ID : | 117776 |
Synonyms : |
|
Chemical Name : | H-Arg-OMe.2HCL |
Calculated chemistry of [ 26340-89-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
15 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.71 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
62.79 |
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) : |
-7.89 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
0.01 |
Log Po/w (WLOGP) : |
0.35 |
Log Po/w (MLOGP) : |
0.01 |
Log Po/w (SILICOS-IT) : |
-1.1 |
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) : |
-1.0 |
Solubility : |
25.9 mg/ml ; 0.0992 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.96 |
Solubility : |
2.86 mg/ml ; 0.011 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.65 |
Solubility : |
58.6 mg/ml ; 0.224 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
2.45 |