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. : | 90357-06-5 | MDL No. : | MFCD00869971 |
Formula : | C18H14F4N2O4S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | LKJPYSCBVHEWIU-UHFFFAOYSA-N |
M.W : | 430.37 | Pubchem ID : | 2375 |
Synonyms : |
ICI 176334;ZD 176334;Abbreviation: CDX. US brand name: Casodex. Foreign brand name: Cosudex.
|
Num. heavy atoms : | 29 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.22 |
Num. rotatable bonds : | 7 |
Num. H-bond acceptors : | 9.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 93.86 |
TPSA : | 115.64 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -7.29 cm/s |
Log Po/w (iLOGP) : | 1.92 |
Log Po/w (XLOGP3) : | 2.31 |
Log Po/w (WLOGP) : | 5.34 |
Log Po/w (MLOGP) : | 2.47 |
Log Po/w (SILICOS-IT) : | 3.22 |
Consensus Log Po/w : | 3.05 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.81 |
Solubility : | 0.067 mg/ml ; 0.000156 mol/l |
Class : | Soluble |
Log S (Ali) : | -4.38 |
Solubility : | 0.0181 mg/ml ; 0.000042 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -6.25 |
Solubility : | 0.000241 mg/ml ; 0.00000056 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.53 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |