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. : | 177355-84-9 | MDL No. : | MFCD03691820 |
Formula : | C22H20N4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QAIMUUJJAJBPCL-UHFFFAOYSA-N |
M.W : | 340.42 | Pubchem ID : | 676352 |
Synonyms : |
JRF 12;N,N'-Dibenzylquinazoline-2,4-diamine
|
Num. heavy atoms : | 26 |
Num. arom. heavy atoms : | 22 |
Fraction Csp3 : | 0.09 |
Num. rotatable bonds : | 6 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 107.12 |
TPSA : | 49.84 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -4.6 cm/s |
Log Po/w (iLOGP) : | 3.61 |
Log Po/w (XLOGP3) : | 5.32 |
Log Po/w (WLOGP) : | 4.17 |
Log Po/w (MLOGP) : | 3.65 |
Log Po/w (SILICOS-IT) : | 4.15 |
Consensus Log Po/w : | 4.18 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -5.53 |
Solubility : | 0.000999 mg/ml ; 0.00000294 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -6.12 |
Solubility : | 0.000259 mg/ml ; 0.000000761 mol/l |
Class : | Poorly soluble |
Log S (SILICOS-IT) : | -9.24 |
Solubility : | 0.000000195 mg/ml ; 0.0000000006 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.57 |
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: |