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. : | 1437794-62-1 | MDL No. : | MFCD24448782 |
Formula : | C8H10BrF3N2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | PYBOTXOBVPLDJS-UHFFFAOYSA-N |
M.W : | 271.08 | Pubchem ID : | 72698458 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.62 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 50.61 |
TPSA : | 17.82 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) : | -5.75 cm/s |
Log Po/w (iLOGP) : | 2.61 |
Log Po/w (XLOGP3) : | 3.11 |
Log Po/w (WLOGP) : | 4.47 |
Log Po/w (MLOGP) : | 2.86 |
Log Po/w (SILICOS-IT) : | 2.85 |
Consensus Log Po/w : | 3.18 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.55 |
Solubility : | 0.0771 mg/ml ; 0.000284 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.15 |
Solubility : | 0.191 mg/ml ; 0.000704 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.38 |
Solubility : | 0.114 mg/ml ; 0.000421 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 1.99 |
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: |
[ 1437794-36-9 ]
4-Bromo-1-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.89
[ 497832-99-2 ]
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.85
[ 1089212-38-3 ]
4-Bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole
Similarity: 0.82
[ 1426958-36-2 ]
1-Butyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.78
[ 19968-17-3 ]
4-Bromo-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.76
[ 1437794-36-9 ]
4-Bromo-1-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.89
[ 497832-99-2 ]
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.85
[ 1089212-38-3 ]
4-Bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole
Similarity: 0.82
[ 19968-17-3 ]
4-Bromo-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.76
[ 5775-82-6 ]
4-Bromo-1,3-dimethyl-1H-pyrazole
Similarity: 0.67
[ 1437794-36-9 ]
4-Bromo-1-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.89
[ 497832-99-2 ]
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.85
[ 1426958-36-2 ]
1-Butyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.78
[ 19968-17-3 ]
4-Bromo-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.76
[ 99498-65-4 ]
1-Phenyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.68
[ 1437794-36-9 ]
4-Bromo-1-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.89
[ 497832-99-2 ]
4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.85
[ 1089212-38-3 ]
4-Bromo-3-(difluoromethyl)-1-methyl-1H-pyrazole
Similarity: 0.82
[ 1426958-36-2 ]
1-Butyl-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.78
[ 19968-17-3 ]
4-Bromo-3-(trifluoromethyl)-1H-pyrazole
Similarity: 0.76