Alternatived Products of [ 36051-68-0 ]
Product Details of [ 36051-68-0 ]
CAS No. : | 36051-68-0 |
MDL No. : | MFCD00078193 |
Formula : |
C9H14N3Na2O14P3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
527.12
|
Pubchem ID : | - |
Synonyms : |
Cytidine triphosphate disodium;5'-CTP disodium;disodium salt;Cytidine 5′-triphosphate
|
Calculated chemistry of [ 36051-68-0 ]
Physicochemical Properties
Num. heavy atoms : |
31 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.56 |
Num. rotatable bonds : |
8 |
Num. H-bond acceptors : |
15.0 |
Num. H-bond donors : |
5.0 |
Molar Refractivity : |
85.51 |
TPSA : |
305.51 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-13.5 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-27.02 |
Log Po/w (XLOGP3) : |
-5.61 |
Log Po/w (WLOGP) : |
-1.65 |
Log Po/w (MLOGP) : |
-4.83 |
Log Po/w (SILICOS-IT) : |
-5.46 |
Consensus Log Po/w : |
-8.91 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.11 |
Water Solubility
Log S (ESOL) : |
0.81 |
Solubility : |
3410.0 mg/ml ; 6.47 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
-0.15 |
Solubility : |
377.0 mg/ml ; 0.715 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
3.63 |
Solubility : |
2230000.0 mg/ml ; 4230.0 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.87 |