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. : | 153559-46-7 | MDL No. : | MFCD13191327 |
Formula : | C23H26O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QADGBOQVBUXZKO-UHFFFAOYSA-N |
M.W : | 350.45 | Pubchem ID : | 9810431 |
Synonyms : |
|
Num. heavy atoms : | 26 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.39 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 104.67 |
TPSA : | 54.37 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -3.98 cm/s |
Log Po/w (iLOGP) : | 3.17 |
Log Po/w (XLOGP3) : | 6.28 |
Log Po/w (WLOGP) : | 5.27 |
Log Po/w (MLOGP) : | 4.17 |
Log Po/w (SILICOS-IT) : | 5.93 |
Consensus Log Po/w : | 4.96 |
Lipinski : | 1.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -6.11 |
Solubility : | 0.00027 mg/ml ; 0.000000771 mol/l |
Class : | Poorly soluble |
Log S (Ali) : | -7.21 |
Solubility : | 0.0000216 mg/ml ; 0.0000000617 mol/l |
Class : | Poorly soluble |
Log S (SILICOS-IT) : | -7.22 |
Solubility : | 0.0000212 mg/ml ; 0.0000000604 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 2.88 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
[ 89781-52-2 ]
8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Similarity: 0.91
[ 42797-18-2 ]
o-(4-Biphenylylcarbonyl)benzoic acid
Similarity: 0.89
[ 2479-49-4 ]
Benzophenonetetracarboxylic Acid
Similarity: 0.89
[ 117-78-2 ]
9,10-Dioxo-9,10-dihydroanthracene-2-carboxylic acid
Similarity: 0.89
[ 89781-52-2 ]
8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Similarity: 0.91
[ 42797-18-2 ]
o-(4-Biphenylylcarbonyl)benzoic acid
Similarity: 0.89
[ 2479-49-4 ]
Benzophenonetetracarboxylic Acid
Similarity: 0.89
[ 117-78-2 ]
9,10-Dioxo-9,10-dihydroanthracene-2-carboxylic acid
Similarity: 0.89
[ 89781-52-2 ]
8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Similarity: 0.91
[ 42797-18-2 ]
o-(4-Biphenylylcarbonyl)benzoic acid
Similarity: 0.89
[ 2479-49-4 ]
Benzophenonetetracarboxylic Acid
Similarity: 0.89
[ 117-78-2 ]
9,10-Dioxo-9,10-dihydroanthracene-2-carboxylic acid
Similarity: 0.89