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. : | 357166-29-1 | MDL No. : | MFCD09029394 |
Formula : | C20H33N5Na2O13 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QJVSMHJWAOSBMD-MYXYZBIASA-L |
M.W : | 597.48 | Pubchem ID : | 135564751 |
Synonyms : |
LY231514 disodium heptahydrate;Pemetrexed (sodium salt hydrate)
|
Num. heavy atoms : | 40 |
Num. arom. heavy atoms : | 15 |
Fraction Csp3 : | 0.25 |
Num. rotatable bonds : | 10 |
Num. H-bond acceptors : | 14.0 |
Num. H-bond donors : | 11.0 |
Molar Refractivity : | 128.6 |
TPSA : | 238.47 Ų |
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) : | -12.15 cm/s |
Log Po/w (iLOGP) : | -30.42 |
Log Po/w (XLOGP3) : | -3.1 |
Log Po/w (WLOGP) : | -1.24 |
Log Po/w (MLOGP) : | -4.29 |
Log Po/w (SILICOS-IT) : | 2.03 |
Consensus Log Po/w : | -7.4 |
Lipinski : | 3.0 |
Ghose : | None |
Veber : | 1.0 |
Egan : | 1.0 |
Muegge : | 4.0 |
Bioavailability Score : | 0.11 |
Log S (ESOL) : | -1.21 |
Solubility : | 36.9 mg/ml ; 0.0618 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.34 |
Solubility : | 27.2 mg/ml ; 0.0455 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -4.92 |
Solubility : | 0.00723 mg/ml ; 0.0000121 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 4.19 |
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: |