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. : | 3901-07-3 | MDL No. : | MFCD00188501 |
Formula : | C11H12O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | VEZIKIAGFYZTCI-VMPITWQZSA-N |
M.W : | 192.21 | Pubchem ID : | 641297 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.18 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 53.92 |
TPSA : | 35.53 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.34 cm/s |
Log Po/w (iLOGP) : | 2.61 |
Log Po/w (XLOGP3) : | 3.01 |
Log Po/w (WLOGP) : | 1.77 |
Log Po/w (MLOGP) : | 1.88 |
Log Po/w (SILICOS-IT) : | 2.25 |
Consensus Log Po/w : | 2.3 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.98 |
Solubility : | 0.201 mg/ml ; 0.00104 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.42 |
Solubility : | 0.0729 mg/ml ; 0.000379 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.69 |
Solubility : | 0.389 mg/ml ; 0.00202 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.92 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362 | UN#: | N/A |
Hazard Statements: | H315-H319 | 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.
[ 832-01-9 ]
Methyl 3-(4-methoxyphenyl)acrylate
Similarity: 1.00
[ 77891-34-0 ]
Methyl 3-(4-ethoxyphenyl)acrylate
Similarity: 0.98
[ 38693-90-2 ]
(E)-Methyl 3-(3-methoxyphenyl)acrylate
Similarity: 0.98
[ 832-01-9 ]
Methyl 3-(4-methoxyphenyl)acrylate
Similarity: 1.00
[ 77891-34-0 ]
Methyl 3-(4-ethoxyphenyl)acrylate
Similarity: 0.98
[ 38693-90-2 ]
(E)-Methyl 3-(3-methoxyphenyl)acrylate
Similarity: 0.98
[ 1929-30-2 ]
Ethyl 3-(4-methoxyphenyl)acrylate
Similarity: 0.95
[ 832-01-9 ]
Methyl 3-(4-methoxyphenyl)acrylate
Similarity: 1.00
[ 77891-34-0 ]
Methyl 3-(4-ethoxyphenyl)acrylate
Similarity: 0.98
[ 38693-90-2 ]
(E)-Methyl 3-(3-methoxyphenyl)acrylate
Similarity: 0.98
[ 832-01-9 ]
Methyl 3-(4-methoxyphenyl)acrylate
Similarity: 1.00
[ 77891-34-0 ]
Methyl 3-(4-ethoxyphenyl)acrylate
Similarity: 0.98
[ 38693-90-2 ]
(E)-Methyl 3-(3-methoxyphenyl)acrylate
Similarity: 0.98