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. : | 35978-39-3 | MDL No. : | MFCD00126441 |
Formula : | C12H8N2OS | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | OLGMRBGIXZANNV-UHFFFAOYSA-N |
M.W : | 228.27 | Pubchem ID : | 215639 |
Synonyms : |
|
Num. heavy atoms : | 16 |
Num. arom. heavy atoms : | 15 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 65.68 |
TPSA : | 73.99 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) : | -6.02 cm/s |
Log Po/w (iLOGP) : | 1.68 |
Log Po/w (XLOGP3) : | 2.35 |
Log Po/w (WLOGP) : | 2.65 |
Log Po/w (MLOGP) : | 2.13 |
Log Po/w (SILICOS-IT) : | 4.27 |
Consensus Log Po/w : | 2.62 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.36 |
Solubility : | 0.0988 mg/ml ; 0.000433 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.54 |
Solubility : | 0.0653 mg/ml ; 0.000286 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -5.03 |
Solubility : | 0.00214 mg/ml ; 0.00000935 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.35 |
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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
92% | at 130℃; for 6 h; | Compound 6b (1 g, 5 mmol) was dissolved in 5 ml of formic acid as solvent,After stirring at room temperature, the temperature was raised to 130 ° C for 6 hours.After the reaction is completed, the solvent is dried,Add 200 ml of ethyl acetate and adjust the pH to neutral,Respectively, with saturated sodium bicarbonate,Saturated brine washing,Dried over anhydrous magnesium sulfate.Rotate the solvent to give a pink solid powder,Recrystallization from ethyl acetate gave a white solid powder 6c (1.05 g 92percent). |
[ 17537-74-5 ]
5-(2,4-Dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 1.00
[ 331761-45-6 ]
5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.94
[ 307512-24-9 ]
5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.93
[ 35978-37-1 ]
5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.92
[ 294653-45-5 ]
2-Mercapto-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.89
[ 17537-74-5 ]
5-(2,4-Dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 1.00
[ 331761-45-6 ]
5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.94
[ 307512-24-9 ]
5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.93
[ 35978-37-1 ]
5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.92
[ 18593-44-7 ]
5,6-Dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.92
[ 17537-74-5 ]
5-(2,4-Dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 1.00
[ 331761-45-6 ]
5-(4-Chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.94
[ 307512-24-9 ]
5-(4-Bromophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.93
[ 35978-37-1 ]
5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.92
[ 18593-44-7 ]
5,6-Dimethylthieno[2,3-d]pyrimidin-4(3H)-one
Similarity: 0.92