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. : | 33106-32-0 | MDL No. : | MFCD16036182 |
Formula : | C10H12O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | XWAVPOFYNPXXEL-QMMMGPOBSA-N |
M.W : | 180.20 | Pubchem ID : | 11298298 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.3 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 48.69 |
TPSA : | 46.53 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.28 cm/s |
Log Po/w (iLOGP) : | 1.07 |
Log Po/w (XLOGP3) : | 1.57 |
Log Po/w (WLOGP) : | 1.52 |
Log Po/w (MLOGP) : | 1.41 |
Log Po/w (SILICOS-IT) : | 1.6 |
Consensus Log Po/w : | 1.44 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -2.02 |
Solubility : | 1.71 mg/ml ; 0.00946 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.16 |
Solubility : | 1.25 mg/ml ; 0.00696 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.35 |
Solubility : | 0.803 mg/ml ; 0.00446 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.94 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | 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.
[ 26164-26-1 ]
(S)-alpha-Methoxyphenylacetic Acid
Similarity: 0.83
[ 19444-23-6 ]
Benzyl 2-hydroxy-2-methylpropanoate
Similarity: 0.83
[ 58570-00-6 ]
2-(Benzoyloxy)-2-methylpropanoic acid
Similarity: 0.80
[ 26164-26-1 ]
(S)-alpha-Methoxyphenylacetic Acid
Similarity: 0.83
[ 26164-26-1 ]
(S)-alpha-Methoxyphenylacetic Acid
Similarity: 0.83
[ 7322-88-5 ]
(S)-2-Acetoxy-2-phenylacetic acid
Similarity: 0.80
[ 58570-00-6 ]
2-(Benzoyloxy)-2-methylpropanoic acid
Similarity: 0.80
[ 51019-43-3 ]
(R)-2-Acetoxy-2-phenylacetic acid
Similarity: 0.80