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. : | 6443-69-2 | MDL No. : | MFCD00008397 |
Formula : | C10H14O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | KCIZTNZGSBSSRM-UHFFFAOYSA-N |
M.W : | 182.22 | Pubchem ID : | 80922 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.4 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 50.88 |
TPSA : | 27.69 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.12 cm/s |
Log Po/w (iLOGP) : | 2.56 |
Log Po/w (XLOGP3) : | 1.82 |
Log Po/w (WLOGP) : | 2.02 |
Log Po/w (MLOGP) : | 1.49 |
Log Po/w (SILICOS-IT) : | 2.31 |
Consensus Log Po/w : | 2.04 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.26 |
Solubility : | 1.0 mg/ml ; 0.0055 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.02 |
Solubility : | 1.73 mg/ml ; 0.00952 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.17 |
Solubility : | 0.124 mg/ml ; 0.000681 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.48 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P210-P280-P370+P378-P403+P235-P501 | UN#: | N/A |
Hazard Statements: | H227-H315 | 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
96% | With hydrogen In tetrahydrofuran | In a similar manner to Example 2, 10 g of 3,4,5-trimethoxy-benzaldehyde dissolved in 100 g of tetrahydrofuran were hydrogenated in the presence of 1 g of catalyst B. The aldehyde conversion rate was 100percent. The yield of the desired toluene derivative was 96percent, based on the total amount of aldehyde used. |
91% | With hydrogen In methanol at 180℃; | 1 g of catalyst D in a catalyst basket insert was placed in a 300 ml pressure reactor and 10 g of 3,4,5-trimethoxybenzaldehyde in 100 g of methanol were added. The hydrogenation was carried out using pure hydrogen at a constant pressure of 200 bar and a temperature of 180° C. Hydrogenation was continued until hydrogen was no longer absorbed. The reactor was then depressurized. The aldehyde conversion rate was 100percent. The yield of the desired toluene derivative was 91percent, based on the total amount of aldehyde used. |
[ 95041-90-0 ]
2-Methoxy-5-(3,4,5-trimethoxyphenethyl)phenol
Similarity: 0.95
[ 20736-25-8 ]
4-(3-Hydroxypropyl)-2,6-dimethoxyphenol
Similarity: 0.92
[ 35896-58-3 ]
1,2,3,4-Tetramethoxy-5-methylbenzene
Similarity: 0.92
[ 95041-90-0 ]
2-Methoxy-5-(3,4,5-trimethoxyphenethyl)phenol
Similarity: 0.95
[ 20736-25-8 ]
4-(3-Hydroxypropyl)-2,6-dimethoxyphenol
Similarity: 0.92
[ 35896-58-3 ]
1,2,3,4-Tetramethoxy-5-methylbenzene
Similarity: 0.92