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. : | 33334-08-6 | MDL No. : | MFCD09910195 |
Formula : | C7H7N3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ZWUUZXDACSQYMI-UHFFFAOYSA-N |
M.W : | 133.15 | Pubchem ID : | 11768620 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 39.88 |
TPSA : | 43.84 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) : | -6.05 cm/s |
Log Po/w (iLOGP) : | 1.24 |
Log Po/w (XLOGP3) : | 1.5 |
Log Po/w (WLOGP) : | 0.76 |
Log Po/w (MLOGP) : | 1.32 |
Log Po/w (SILICOS-IT) : | 0.31 |
Consensus Log Po/w : | 1.03 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.28 |
Solubility : | 0.704 mg/ml ; 0.00529 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.03 |
Solubility : | 1.25 mg/ml ; 0.00937 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -1.69 |
Solubility : | 2.71 mg/ml ; 0.0203 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.95 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-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 |
---|---|---|
47% | With sodium hydroxide; hydroxylamine-O-sulfonic acid In ethanol; water; ethyl acetate | REFERENCE EXAMPLE 12 Synthesis of 1-aminoindazole To a solution of 2.2 g(55 mmol) of sodium hydroxide in 30 ml of water was added 1.33 g(10 mmol) of 1H-indazole and ethanol was slowly added at 50° C. until the reaction mixture was dissolved thoroughly. The resulting mixture was heated to 55° C. and 2.83 g(25 mmol) of hydroxylamine-O-sulfonic acid was slowly added over 30 min with vigorous stirring followed by further stirring for 30 min. After completion of reaction, the resulting precipitate was filtered off, and the filtrate was extracted with dichloromethane(30 ml*2), dried over anhydrous magnesium sulfate and concetrated under the reduced pressure. The concentrate was chromatographed over silica gel using 10percent ethyl acetate/dichloromethane as an eluent. The fractions containing the desired product were concentrated under the reduced pressure and crystallized from benzene/petroleum ether to give 0.63 g of the desired compound(47percent). m.p. =104°~106° C. NMR (DMSO-d6, δ) 5.41 (s, 2H, NH2), 6.85~7.95 (m, 4H) 8.05 (s,1H) |
[ 945264-96-0 ]
N,N-Dimethyl-1H-indazol-5-amine
Similarity: 0.80
[ 588-64-7 ]
1-Benzylidene-2-phenylhydrazine
Similarity: 0.78
[ 60480-83-3 ]
2,4-Dimethylphenylhydrazine hydrochloride
Similarity: 0.61
[ 24006-09-5 ]
Mesitylhydrazine hydrochloride
Similarity: 0.60
[ 56737-78-1 ]
2,5-Dimethylphenylhydrazine hydrochloride
Similarity: 0.60
[ 2538-61-6 ]
(2,6-Dimethylphenyl)hydrazine hydrochloride
Similarity: 0.60
[ 76195-82-9 ]
Mesitylhydrazine xhydrochloride
Similarity: 0.60
[ 945264-96-0 ]
N,N-Dimethyl-1H-indazol-5-amine
Similarity: 0.80