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. : | 70399-02-9 | MDL No. : | MFCD20441891 |
Formula : | C9H11BrO2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | WQZTWNHNXOSAAR-UHFFFAOYSA-N |
M.W : | 263.15 | Pubchem ID : | 19959947 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.33 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 56.85 |
TPSA : | 42.52 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) : | -5.9 cm/s |
Log Po/w (iLOGP) : | 2.18 |
Log Po/w (XLOGP3) : | 2.83 |
Log Po/w (WLOGP) : | 3.71 |
Log Po/w (MLOGP) : | 2.88 |
Log Po/w (SILICOS-IT) : | 2.3 |
Consensus Log Po/w : | 2.78 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.46 |
Solubility : | 0.0904 mg/ml ; 0.000344 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.38 |
Solubility : | 0.109 mg/ml ; 0.000416 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.0 |
Solubility : | 0.0263 mg/ml ; 0.0001 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.18 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | 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.
[ 70399-01-8 ]
1-Bromo-3-(isopropylsulfonyl)benzene
Similarity: 0.98
[ 2050-48-8 ]
4,4'-Sulfonylbis(bromobenzene)
Similarity: 0.93
[ 3466-32-8 ]
1-Bromo-4-(methylsulfonyl)benzene
Similarity: 0.93
[ 34896-80-5 ]
1-Bromo-3-(methylsulfonyl)benzene
Similarity: 0.91
[ 702672-96-6 ]
2-Bromo-1-methyl-4-(methylsulfonyl)benzene
Similarity: 0.82
[ 70399-01-8 ]
1-Bromo-3-(isopropylsulfonyl)benzene
Similarity: 0.98
[ 2050-48-8 ]
4,4'-Sulfonylbis(bromobenzene)
Similarity: 0.93
[ 3466-32-8 ]
1-Bromo-4-(methylsulfonyl)benzene
Similarity: 0.93
[ 34896-80-5 ]
1-Bromo-3-(methylsulfonyl)benzene
Similarity: 0.91
[ 702672-96-6 ]
2-Bromo-1-methyl-4-(methylsulfonyl)benzene
Similarity: 0.82
[ 70399-01-8 ]
1-Bromo-3-(isopropylsulfonyl)benzene
Similarity: 0.98
[ 2050-48-8 ]
4,4'-Sulfonylbis(bromobenzene)
Similarity: 0.93
[ 3466-32-8 ]
1-Bromo-4-(methylsulfonyl)benzene
Similarity: 0.93
[ 34896-80-5 ]
1-Bromo-3-(methylsulfonyl)benzene
Similarity: 0.91
[ 702672-96-6 ]
2-Bromo-1-methyl-4-(methylsulfonyl)benzene
Similarity: 0.82