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. : | 188968-51-6 | MDL No. : | MFCD04307743 |
Formula : | C27H40N8O7 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AMLYAMJWYAIXIA-VWNVYAMZSA-N |
M.W : | 588.66 | Pubchem ID : | 176873 |
Synonyms : |
EMD 121974;EMD-85189;NSC-707544;EMD-12192
|
Num. heavy atoms : | 42 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.52 |
Num. rotatable bonds : | 10 |
Num. H-bond acceptors : | 8.0 |
Num. H-bond donors : | 8.0 |
Molar Refractivity : | 170.98 |
TPSA : | 235.91 Ų |
GI absorption : | Low |
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) : | -10.33 cm/s |
Log Po/w (iLOGP) : | 0.63 |
Log Po/w (XLOGP3) : | -0.62 |
Log Po/w (WLOGP) : | -3.87 |
Log Po/w (MLOGP) : | -1.55 |
Log Po/w (SILICOS-IT) : | -0.69 |
Consensus Log Po/w : | -1.22 |
Lipinski : | 3.0 |
Ghose : | None |
Veber : | 1.0 |
Egan : | 1.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.17 |
Log S (ESOL) : | -2.54 |
Solubility : | 1.68 mg/ml ; 0.00285 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.86 |
Solubility : | 0.0809 mg/ml ; 0.000137 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -5.35 |
Solubility : | 0.00261 mg/ml ; 0.00000444 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 5.49 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | 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.