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. : | 144-68-3 | MDL No. : | MFCD08435940 |
Formula : | C40H56O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JKQXZKUSFCKOGQ-QAYBQHTQSA-N |
M.W : | 568.87 | Pubchem ID : | 5280899 |
Synonyms : |
Anchovyxanthin;Zeaxanthol;beta-Carotene-3,3'-diol;Xanthophyll 3
|
Num. heavy atoms : | 42 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.45 |
Num. rotatable bonds : | 10 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 186.76 |
TPSA : | 40.46 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -2.02 cm/s |
Log Po/w (iLOGP) : | 7.27 |
Log Po/w (XLOGP3) : | 10.91 |
Log Po/w (WLOGP) : | 10.55 |
Log Po/w (MLOGP) : | 6.96 |
Log Po/w (SILICOS-IT) : | 10.9 |
Consensus Log Po/w : | 9.32 |
Lipinski : | 2.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 1.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.17 |
Log S (ESOL) : | -9.58 |
Solubility : | 0.00000015 mg/ml ; 0.0000000003 mol/l |
Class : | Poorly soluble |
Log S (Ali) : | -11.72 |
Solubility : | 0.0000000011 mg/ml ; 0.0 mol/l |
Class : | Insoluble |
Log S (SILICOS-IT) : | -5.94 |
Solubility : | 0.000652 mg/ml ; 0.00000115 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 3.0 |
Synthetic accessibility : | 6.78 |
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.
[ 5208-93-5 ]
3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
Similarity: 0.81
[ 98-55-5 ]
2-(4-Methylcyclohex-3-en-1-yl)propan-2-ol
Similarity: 0.76
[ 10482-56-1 ]
(S)-2-(4-Methylcyclohex-3-en-1-yl)propan-2-ol
Similarity: 0.76
[ 68931-30-6 ]
3,7,11,15-Tetramethylhexadeca-1,6,10,14-tetraen-3-ol
Similarity: 0.73
[ 5208-93-5 ]
3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
Similarity: 0.81
[ 98-55-5 ]
2-(4-Methylcyclohex-3-en-1-yl)propan-2-ol
Similarity: 0.76
[ 10482-56-1 ]
(S)-2-(4-Methylcyclohex-3-en-1-yl)propan-2-ol
Similarity: 0.76
[ 116-31-4 ]
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
Similarity: 0.71
[ 530-91-6 ]
1,2,3,4-Tetrahydronaphthalen-2-ol
Similarity: 0.86
[ 5406-86-0 ]
2-(4-(tert-Butyl)phenyl)ethanol
Similarity: 0.82
[ 5208-93-5 ]
3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
Similarity: 0.81