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. : | 2170451-48-4 | MDL No. : | MFCD31700764 |
Formula : | C30H20O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | UKOWOFJKLANHAG-UHFFFAOYSA-N |
M.W : | 444.48 | Pubchem ID : | 134821675 |
Synonyms : |
|
Num. heavy atoms : | 34 |
Num. arom. heavy atoms : | 24 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 8 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 132.34 |
TPSA : | 68.28 Ų |
GI absorption : | High |
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) : | -4.89 cm/s |
Log Po/w (iLOGP) : | 2.78 |
Log Po/w (XLOGP3) : | 5.81 |
Log Po/w (WLOGP) : | 5.94 |
Log Po/w (MLOGP) : | 3.4 |
Log Po/w (SILICOS-IT) : | 7.54 |
Consensus Log Po/w : | 5.1 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 1.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -6.25 |
Solubility : | 0.00025 mg/ml ; 0.000000562 mol/l |
Class : | Poorly soluble |
Log S (Ali) : | -7.01 |
Solubility : | 0.000043 mg/ml ; 0.0000000968 mol/l |
Class : | Poorly soluble |
Log S (SILICOS-IT) : | -9.71 |
Solubility : | 0.0000000861 mg/ml ; 0.0000000002 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 3.0 |
Synthetic accessibility : | 2.83 |
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: |
[ 1289218-74-1 ]
4-(1,2,2-Triphenylvinyl)benzaldehyde
Similarity: 1.00
[ 1351279-73-6 ]
4,4',4'',4'''-(Ethene-1,1,2,2-tetrayl)tetrabenzoic acid
Similarity: 0.82
[ 1289218-74-1 ]
4-(1,2,2-Triphenylvinyl)benzaldehyde
Similarity: 1.00
[ 1351279-73-6 ]
4,4',4'',4'''-(Ethene-1,1,2,2-tetrayl)tetrabenzoic acid
Similarity: 0.82
[ 1289218-74-1 ]
4-(1,2,2-Triphenylvinyl)benzaldehyde
Similarity: 1.00
[ 4720-99-4 ]
4,4'-(Ethene-1,2-diyl)dibenzaldehyde
Similarity: 0.75
[ 84907-53-9 ]
(E)-4,4'-(Ethene-1,2-diyl)dibenzaldehyde
Similarity: 0.75