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. : | 854626-32-7 | MDL No. : | MFCD27930042 |
Formula : | C6H4Br2O2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | KUXNSSLEHIUORH-UHFFFAOYSA-N |
M.W : | 299.97 | Pubchem ID : | 44248130 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.17 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 51.64 |
TPSA : | 65.54 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) : | -5.62 cm/s |
Log Po/w (iLOGP) : | 1.82 |
Log Po/w (XLOGP3) : | 3.54 |
Log Po/w (WLOGP) : | 3.28 |
Log Po/w (MLOGP) : | 2.44 |
Log Po/w (SILICOS-IT) : | 3.73 |
Consensus Log Po/w : | 2.96 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -4.2 |
Solubility : | 0.0189 mg/ml ; 0.000063 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -4.6 |
Solubility : | 0.00752 mg/ml ; 0.0000251 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -3.12 |
Solubility : | 0.227 mg/ml ; 0.000757 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.64 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-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.
[ 648412-53-7 ]
Methyl 4,5-dibromo-3-methylthiophene-2-carboxylate
Similarity: 0.92
[ 38239-45-1 ]
5-Bromo-3-methylthiophene-2-carboxylic acid
Similarity: 0.85
[ 856354-09-1 ]
3,5-Dibromo-4-methylthiophene-2-carboxylic acid
Similarity: 0.83
[ 53685-98-6 ]
4-Bromo-3-formylthiophene-2-carboxylic acid
Similarity: 0.83
[ 1823436-46-9 ]
4-Bromo-3-(p-tolyl)thiophene-2-carboxylic acid
Similarity: 0.81
[ 38239-45-1 ]
5-Bromo-3-methylthiophene-2-carboxylic acid
Similarity: 0.85
[ 856354-09-1 ]
3,5-Dibromo-4-methylthiophene-2-carboxylic acid
Similarity: 0.83
[ 53685-98-6 ]
4-Bromo-3-formylthiophene-2-carboxylic acid
Similarity: 0.83
[ 1823436-46-9 ]
4-Bromo-3-(p-tolyl)thiophene-2-carboxylic acid
Similarity: 0.81
[ 40196-67-6 ]
4-Bromo-5-methyl-3-phenylthiophene-2-carboxylic acid
Similarity: 0.79