Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 81265-93-2 | MDL No. : | MFCD00080294 |
Formula : | C44H49N5O7Si | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DAZIGOPASNJPCJ-GNECSJIWSA-N |
M.W : | 787.97 | Pubchem ID : | 13871229 |
Synonyms : |
|
Num. heavy atoms : | 57 |
Num. arom. heavy atoms : | 33 |
Fraction Csp3 : | 0.32 |
Num. rotatable bonds : | 15 |
Num. H-bond acceptors : | 10.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 220.17 |
TPSA : | 139.08 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -5.76 cm/s |
Log Po/w (iLOGP) : | 5.93 |
Log Po/w (XLOGP3) : | 7.53 |
Log Po/w (WLOGP) : | 7.13 |
Log Po/w (MLOGP) : | 2.5 |
Log Po/w (SILICOS-IT) : | 4.38 |
Consensus Log Po/w : | 5.49 |
Lipinski : | 2.0 |
Ghose : | None |
Veber : | 1.0 |
Egan : | 2.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.17 |
Log S (ESOL) : | -8.91 |
Solubility : | 0.000000974 mg/ml ; 0.0000000012 mol/l |
Class : | Poorly soluble |
Log S (Ali) : | -10.29 |
Solubility : | 0.0000000408 mg/ml ; 0.0000000001 mol/l |
Class : | Insoluble |
Log S (SILICOS-IT) : | -12.46 |
Solubility : | 0.0000000003 mg/ml ; 0.0 mol/l |
Class : | Insoluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 3.0 |
Synthetic accessibility : | 7.16 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |