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. : | 1428729-56-9 | MDL No. : | |
Formula : | C19H11N3OS2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | YAISOECYKYATLL-UHFFFAOYSA-N |
M.W : | 361.44 | Pubchem ID : | 71549151 |
Synonyms : |
|
Num. heavy atoms : | 25 |
Num. arom. heavy atoms : | 22 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 104.52 |
TPSA : | 111.36 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -4.78 cm/s |
Log Po/w (iLOGP) : | 2.68 |
Log Po/w (XLOGP3) : | 5.25 |
Log Po/w (WLOGP) : | 5.12 |
Log Po/w (MLOGP) : | 3.11 |
Log Po/w (SILICOS-IT) : | 5.83 |
Consensus Log Po/w : | 4.4 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -5.84 |
Solubility : | 0.00052 mg/ml ; 0.00000144 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -7.34 |
Solubility : | 0.0000166 mg/ml ; 0.000000046 mol/l |
Class : | Poorly soluble |
Log S (SILICOS-IT) : | -7.69 |
Solubility : | 0.00000741 mg/ml ; 0.0000000205 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 2.84 |
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: |