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. : | 36070-79-8 | MDL No. : | MFCD02258395 |
Formula : | C5H4ClN3O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JEERXOCCQAMKAF-UHFFFAOYSA-N |
M.W : | 157.56 | Pubchem ID : | 1282529 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 35.14 |
TPSA : | 68.87 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.06 cm/s |
Log Po/w (iLOGP) : | 1.09 |
Log Po/w (XLOGP3) : | 0.28 |
Log Po/w (WLOGP) : | 0.23 |
Log Po/w (MLOGP) : | -1.01 |
Log Po/w (SILICOS-IT) : | 0.73 |
Consensus Log Po/w : | 0.26 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.37 |
Solubility : | 6.7 mg/ml ; 0.0425 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.29 |
Solubility : | 8.12 mg/ml ; 0.0515 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.84 |
Solubility : | 2.25 mg/ml ; 0.0143 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.86 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H317-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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
34% | Stage #1: With 1-methyl-piperazine; isobutyl chloroformate In N,N-dimethyl-formamide at -40 - -20℃; for 0.333333 h; Stage #2: With ammonia In water; N,N-dimethyl-formamide for 0.25 h; |
Intermediate 13-2: 6-chloropyrazine-2-carboxamideA solution of 6-chloro-pyrazine carboxylic acid (2.0O g, 12.62 mmol) in DMF (7 mL) was cooled to -40 0C. NMP (2.77 mL, 25.23 mmol) and isobutyl chloroformate 3.27 mL, 25.23 mmol) were added. The temperature was allowed to increase to -20 0C during 20 min and then NH4OH was added. A precipitate was rapidly formed and after 15 min it was filtered off and washed with water. Crystallization from EtOH gave the title compound (670 mg, 34 percent) as light-brown needles.1H NMR (500 MHz, DMSO) δ 7.93 (br s, IH), 8.24 (br s, IH), 8.99 (s, IH), 9.12 (s, IH). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
32% | With water In DMF (N,N-dimethyl-formamide) at 100℃; for 3 h; | To a solution of 2, 6-dichloropyrazine (50 mg, 0.34 mmol) in DMF (1 mL) was added a solution of potassium cyanide (24 mg, 0.37 mmol) in H20 (1 mL). After stirring for 3 h at 100 °C, the reaction mixture was cooled to r. T., poured into H20 (10 mL) and extracted with EtOAc three times. The combined organic layer was dried over MGS04, filtered and concentrated. The crude product wa purified by column chromatography (silica gel, EtOAc: Hexane, 3: 7) to give 15 mg of the desired product. Yield: 32percent. 20. 1. a 6-CLALOROPVRAZINE-2-CARBOXYLIC ACID AMIDE MS M/Z 158.1 (M + 1). |
[ 874114-34-8 ]
6-Chloropyrazine-2-carbaldehyde
Similarity: 0.84
[ 88625-24-5 ]
5-Chloropyrazine-2-carbaldehyde
Similarity: 0.82
[ 17890-77-6 ]
3-Amino-6-bromopyrazine-2-carboxamide
Similarity: 0.60
[ 259793-88-9 ]
6-Bromo-3-hydroxypyrazine-2-carboxamide
Similarity: 0.55
[ 129993-47-1 ]
1-Methyl-1H-imidazole-4-carboxamide
Similarity: 0.52
[ 72-40-2 ]
5-Amino-1H-imidazole-4-carboxamide hydrochloride
Similarity: 0.51
[ 360-97-4 ]
4-Amino-1H-imidazole-5-carboxamide
Similarity: 0.50
[ 89182-14-9 ]
3-Chloro-5-methylpyrazin-2-amine
Similarity: 0.62
[ 17890-77-6 ]
3-Amino-6-bromopyrazine-2-carboxamide
Similarity: 0.60
[ 4853-52-5 ]
3-Amino-5,6-dichloropyrazine-2-carboxylic acid
Similarity: 0.60
[ 89182-15-0 ]
3-Chloro-6-methylpyrazin-2-amine
Similarity: 0.60
[ 874114-34-8 ]
6-Chloropyrazine-2-carbaldehyde
Similarity: 0.84
[ 88625-24-5 ]
5-Chloropyrazine-2-carbaldehyde
Similarity: 0.82