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. : | 697739-12-1 | MDL No. : | MFCD20921983 |
Formula : | C10H10N2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | IZZCPMXJHNYFKD-UHFFFAOYSA-N |
M.W : | 190.20 | Pubchem ID : | 69160068 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.2 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 51.28 |
TPSA : | 43.6 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) : | -5.99 cm/s |
Log Po/w (iLOGP) : | 2.2 |
Log Po/w (XLOGP3) : | 2.07 |
Log Po/w (WLOGP) : | 1.51 |
Log Po/w (MLOGP) : | 0.94 |
Log Po/w (SILICOS-IT) : | 1.09 |
Consensus Log Po/w : | 1.56 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.6 |
Solubility : | 0.477 mg/ml ; 0.00251 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.61 |
Solubility : | 0.462 mg/ml ; 0.00243 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.57 |
Solubility : | 0.513 mg/ml ; 0.0027 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.79 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-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 |
---|---|---|
42% | With potassium hydroxide In methanol for 0.5 h; Heating / reflux | Description 36 (8.67 g, 45.6 mmol) and KOH [1. OM in methanol] (91.2 ml, 91.2 mmol) were mixed together and heated to reflux for 30 minutes when HPLC indicated the reaction was complete. The mixture was cooled and evaporated to dryness. Water (50 ml) was then added, and the mixture acidified with 2N HC1 to give a yellow precipitate. The precipitate was filtered and washed successively with water, ethanol, and diethyl ether to give the title compound (3.1 g, 42percent) as a yellow solid |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
56% | Stage #1: at 60℃; for 2 h; Stage #2: at 20 - 35℃; for 4 h; |
Acetic anhydride (38. 21 ml, 405 mmol) and formic acid (15.28 ml, 405 mmol) were mixed together at 60 °C for 2 hours then allowed to cool to room temperature. To this mixture was added Description 35 (17.55 g, 81 mmol), and the resulting mixture stirred at room temperature for 1 hour, then heated at 35 °C for 3 hours. The mixture was cooled to 5 °C and neutralised with 0.88 ammonia solution and then extracted with dichloromethane (3 x). The combined dichloromethane layers were washed with water, saturated NACI, dried over NA2S04, filtered and evaporated. The residue was purified by column chromatography on silica eluting with 2percent MEOH in DCM + 0.5percent NH40H to give the title compound (8.67 g, 56percent). |
[ 151509-02-3 ]
Methyl imidazo[1,5-a]pyridine-8-carboxylate
Similarity: 0.98
[ 117296-92-1 ]
Ethyl 2-(1H-imidazol-1-yl)benzoate
Similarity: 0.93
[ 1914148-56-3 ]
Ethyl imidazo[1,5-a]pyridine-7-carboxylate hydrochloride
Similarity: 0.91
[ 101184-08-1 ]
Methyl 4-(1H-imidazol-1-yl)benzoate
Similarity: 0.83
[ 139183-89-4 ]
Methyl imidazo[1,5-a]pyridine-6-carboxylate
Similarity: 0.82
[ 151509-02-3 ]
Methyl imidazo[1,5-a]pyridine-8-carboxylate
Similarity: 0.98
[ 1914148-56-3 ]
Ethyl imidazo[1,5-a]pyridine-7-carboxylate hydrochloride
Similarity: 0.91
[ 1616526-83-0 ]
Imidazo[1,5-a]pyridine-7-carboxylic acid dihydrochloride
Similarity: 0.83
[ 139183-89-4 ]
Methyl imidazo[1,5-a]pyridine-6-carboxylate
Similarity: 0.82
[ 101820-69-3 ]
Ethyl 2-(imidazo[1,2-a]pyridin-3-yl)acetate
Similarity: 0.80