Alternatived Products of [ 108321-18-2 ]
Product Details of [ 108321-18-2 ]
CAS No. : | 108321-18-2 |
MDL No. : | MFCD00153888 |
Formula : |
C39H76NaO8P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | ALPWRKFXEOAUDR-GKEJWYBXSA-M |
M.W : |
726.98
|
Pubchem ID : | 45051559 |
Synonyms : |
1,2-Distearoyl-sn-glycero-3-phosphatidic acid (Na+ salt);DSPA;1,2-Distearoyl-sn-glycero-3-phosphate;PA(18:0/18:0);18:0/18:0-PA;1,2-DSPA
|
Calculated chemistry of [ 108321-18-2 ]
Physicochemical Properties
Num. heavy atoms : |
49 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.95 |
Num. rotatable bonds : |
40 |
Num. H-bond acceptors : |
8.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
202.7 |
TPSA : |
132.0 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) : |
-0.01 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-5.92 |
Log Po/w (XLOGP3) : |
15.11 |
Log Po/w (WLOGP) : |
12.51 |
Log Po/w (MLOGP) : |
6.1 |
Log Po/w (SILICOS-IT) : |
12.85 |
Consensus Log Po/w : |
8.13 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
2.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-11.23 |
Solubility : |
0.0000000043 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-18.0 |
Solubility : |
7.22e-16 mg/ml ; 9.93e-19 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-12.0 |
Solubility : |
0.0000000007 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
7.71 |
Safety of [ 108321-18-2 ]