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CAS No. : | 3286-46-2 | MDL No. : | MFCD01726427 |
Formula : | C32H46N8O6S2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 702.89 | Pubchem ID : | - |
Synonyms : |
Bisibuthiamine;Vitaberin;Arcalion;Youvitan;Bisibutiamine
|
Chemical Name : | Disulfanediylbis(4-(N-((4-amino-2-methylpyrimidin-5-yl)methyl)formamido)pent-3-ene-3,1-diyl) bis(2-methylpropanoate) |
Num. heavy atoms : | 48 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 21 |
Num. H-bond acceptors : | 10.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 190.54 |
TPSA : | 247.42 Ų |
GI absorption : | None |
BBB permeant : | None |
P-gp substrate : | None |
CYP1A2 inhibitor : | None |
CYP2C19 inhibitor : | None |
CYP2C9 inhibitor : | None |
CYP2D6 inhibitor : | None |
CYP3A4 inhibitor : | None |
Log Kp (skin permeation) : | None cm/s |
Log Po/w (iLOGP) : | None |
Log Po/w (XLOGP3) : | None |
Log Po/w (WLOGP) : | 4.4 |
Log Po/w (MLOGP) : | None |
Log Po/w (SILICOS-IT) : | None |
Consensus Log Po/w : | None |
Lipinski : | None |
Ghose : | None |
Veber : | None |
Egan : | None |
Muegge : | None |
Bioavailability Score : | None |
Log S (ESOL) : | None |
Solubility : | None mg/ml ; None mol/l |
Class : | None |
Log S (Ali) : | None |
Solubility : | None mg/ml ; None mol/l |
Class : | None |
Log S (SILICOS-IT) : | None |
Solubility : | None mg/ml ; None mol/l |
Class : | None |
PAINS : | None alert |
Brenk : | None alert |
Leadlikeness : | None |
Synthetic accessibility : | None |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
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