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. : | 1310383-98-2 | MDL No. : | MFCD12028659 |
Formula : | C9H11BN2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JGAHSLPFNPGSNM-UHFFFAOYSA-N |
M.W : | 190.01 | Pubchem ID : | 44119496 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.22 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 55.79 |
TPSA : | 58.28 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) : | -6.86 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 0.84 |
Log Po/w (WLOGP) : | -0.44 |
Log Po/w (MLOGP) : | 0.04 |
Log Po/w (SILICOS-IT) : | -0.74 |
Consensus Log Po/w : | -0.06 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.96 |
Solubility : | 2.1 mg/ml ; 0.011 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.65 |
Solubility : | 4.29 mg/ml ; 0.0226 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.75 |
Solubility : | 3.36 mg/ml ; 0.0177 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.86 |
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: |
[ 1262512-81-1 ]
(1,5-Dimethyl-1H-indazol-4-yl)boronic acid
Similarity: 0.98
[ 1310383-74-4 ]
1,6-Dimethyl-1h-indazole-5-boronic acid
Similarity: 0.98
[ 1310405-36-7 ]
1,4-Dimethyl-1H-indazol-5-yl-5-boronic acid
Similarity: 0.97
[ 1310405-32-3 ]
1,6-Dimethyl-1h-indazole-4-boronic acid
Similarity: 0.89
[ 590418-08-9 ]
1-Methyl-1H-indazol-5-yl-5-boronic acid
Similarity: 0.84
[ 1262512-81-1 ]
(1,5-Dimethyl-1H-indazol-4-yl)boronic acid
Similarity: 0.98
[ 1310383-74-4 ]
1,6-Dimethyl-1h-indazole-5-boronic acid
Similarity: 0.98
[ 1310405-36-7 ]
1,4-Dimethyl-1H-indazol-5-yl-5-boronic acid
Similarity: 0.97
[ 1310405-32-3 ]
1,6-Dimethyl-1h-indazole-4-boronic acid
Similarity: 0.89
[ 590418-08-9 ]
1-Methyl-1H-indazol-5-yl-5-boronic acid
Similarity: 0.84