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. : | 936249-94-4 | MDL No. : | MFCD09935620 |
Formula : | C7H4BrF3O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | OQANLAKJTFXSQM-UHFFFAOYSA-N |
M.W : | 241.01 | Pubchem ID : | 24696917 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.14 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 40.69 |
TPSA : | 9.23 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) : | -5.19 cm/s |
Log Po/w (iLOGP) : | 2.18 |
Log Po/w (XLOGP3) : | 3.63 |
Log Po/w (WLOGP) : | 4.45 |
Log Po/w (MLOGP) : | 3.3 |
Log Po/w (SILICOS-IT) : | 3.35 |
Consensus Log Po/w : | 3.38 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.86 |
Solubility : | 0.0333 mg/ml ; 0.000138 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.51 |
Solubility : | 0.0742 mg/ml ; 0.000308 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.88 |
Solubility : | 0.0316 mg/ml ; 0.000131 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 1.75 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P264-P270-P301+P312-P330 | UN#: | N/A |
Hazard Statements: | H302-H315-H320-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 866633-25-2 ]
2-Bromo-4-fluoro-1-(trifluoromethoxy)benzene
Similarity: 0.98
[ 954235-83-7 ]
1-Bromo-2-(difluoromethoxy)-4-fluorobenzene
Similarity: 0.96
[ 1239492-22-8 ]
2-Bromo-1-(difluoromethoxy)-3-fluorobenzene
Similarity: 0.93
[ 452-08-4 ]
2-Bromo-4-fluoro-1-methoxybenzene
Similarity: 0.89
[ 168971-68-4 ]
1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene
Similarity: 0.88
[ 866633-25-2 ]
2-Bromo-4-fluoro-1-(trifluoromethoxy)benzene
Similarity: 0.98
[ 954235-83-7 ]
1-Bromo-2-(difluoromethoxy)-4-fluorobenzene
Similarity: 0.96
[ 1239492-22-8 ]
2-Bromo-1-(difluoromethoxy)-3-fluorobenzene
Similarity: 0.93
[ 452-08-4 ]
2-Bromo-4-fluoro-1-methoxybenzene
Similarity: 0.89
[ 168971-68-4 ]
1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene
Similarity: 0.88
[ 866633-25-2 ]
2-Bromo-4-fluoro-1-(trifluoromethoxy)benzene
Similarity: 0.98
[ 954235-83-7 ]
1-Bromo-2-(difluoromethoxy)-4-fluorobenzene
Similarity: 0.96
[ 1239492-22-8 ]
2-Bromo-1-(difluoromethoxy)-3-fluorobenzene
Similarity: 0.93
[ 452-08-4 ]
2-Bromo-4-fluoro-1-methoxybenzene
Similarity: 0.89
[ 168971-68-4 ]
1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene
Similarity: 0.88
[ 866633-25-2 ]
2-Bromo-4-fluoro-1-(trifluoromethoxy)benzene
Similarity: 0.98
[ 954235-83-7 ]
1-Bromo-2-(difluoromethoxy)-4-fluorobenzene
Similarity: 0.96
[ 1239492-22-8 ]
2-Bromo-1-(difluoromethoxy)-3-fluorobenzene
Similarity: 0.93
[ 452-08-4 ]
2-Bromo-4-fluoro-1-methoxybenzene
Similarity: 0.89
[ 168971-68-4 ]
1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene
Similarity: 0.88
[ 954235-83-7 ]
1-Bromo-2-(difluoromethoxy)-4-fluorobenzene
Similarity: 0.96
[ 1239492-22-8 ]
2-Bromo-1-(difluoromethoxy)-3-fluorobenzene
Similarity: 0.93
[ 954235-78-0 ]
4-Bromo-2-(difluoromethoxy)-1-fluorobenzene
Similarity: 0.86
[ 175278-33-8 ]
1-Bromo-2-(difluoromethoxy)benzene
Similarity: 0.83
[ 5905-69-1 ]
1-Bromo-4-(difluoromethoxy)benzene
Similarity: 0.77