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. : | 36837-50-0 | MDL No. : | MFCD19441367 |
Formula : | C14H20O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | TVUZOWCUYWPFPN-UHFFFAOYSA-N |
M.W : | 236.31 | Pubchem ID : | 3084638 |
Synonyms : |
|
Num. heavy atoms : | 17 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 68.41 |
TPSA : | 46.53 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.19 cm/s |
Log Po/w (iLOGP) : | 3.0 |
Log Po/w (XLOGP3) : | 3.6 |
Log Po/w (WLOGP) : | 2.8 |
Log Po/w (MLOGP) : | 2.78 |
Log Po/w (SILICOS-IT) : | 3.25 |
Consensus Log Po/w : | 3.09 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.5 |
Solubility : | 0.074 mg/ml ; 0.000313 mol/l |
Class : | Soluble |
Log S (Ali) : | -4.26 |
Solubility : | 0.0129 mg/ml ; 0.0000544 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -3.93 |
Solubility : | 0.028 mg/ml ; 0.000119 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 1.69 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-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.
[ 6386-38-5 ]
Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Similarity: 0.96
[ 2206682-87-1 ]
11-Methyldodecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Similarity: 0.92
[ 64360-47-0 ]
Methyl 2-(4-hydroxy-3-methylphenyl)acetate
Similarity: 0.91
[ 856169-08-9 ]
Methyl 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
Similarity: 0.89
[ 6386-38-5 ]
Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate
Similarity: 0.96
[ 64360-47-0 ]
Methyl 2-(4-hydroxy-3-methylphenyl)acetate
Similarity: 0.91
[ 856169-08-9 ]
Methyl 2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)acetate
Similarity: 0.89
[ 5597-50-2 ]
Methyl 3-(4-hydroxyphenyl)propionate
Similarity: 0.89