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. : | 6567-35-7 | MDL No. : | MFCD07368611 |
Formula : | C4H2BrNO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | YNIMFLBFJCGBQK-UHFFFAOYSA-N |
M.W : | 191.97 | Pubchem ID : | 327716 |
Synonyms : |
|
Num. heavy atoms : | 9 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 31.16 |
TPSA : | 63.33 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.58 cm/s |
Log Po/w (iLOGP) : | 1.1 |
Log Po/w (XLOGP3) : | 1.25 |
Log Po/w (WLOGP) : | 1.14 |
Log Po/w (MLOGP) : | 0.06 |
Log Po/w (SILICOS-IT) : | 1.02 |
Consensus Log Po/w : | 0.91 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -2.16 |
Solubility : | 1.32 mg/ml ; 0.00687 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.18 |
Solubility : | 1.27 mg/ml ; 0.00663 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -1.47 |
Solubility : | 6.55 mg/ml ; 0.0341 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.25 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-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.
[ 105174-97-8 ]
Ethyl 3-bromoisoxazole-5-carboxylate
Similarity: 0.89
[ 220780-57-4 ]
3-Bromoisoxazole-5-carbaldehyde
Similarity: 0.86
[ 25742-00-1 ]
(3-Bromoisoxazol-5-yl)methanol
Similarity: 0.81
[ 377053-86-6 ]
Methyl 3-(4-bromophenyl)isoxazole-5-carboxylate
Similarity: 0.60
[ 261350-46-3 ]
4-Methylisoxazole-5-carboxylic acid
Similarity: 0.76
[ 4857-42-5 ]
3-Methylisoxazole-5-carboxylic acid
Similarity: 0.75
[ 13626-60-3 ]
3-Hydroxyisoxazole-5-carboxylic acid
Similarity: 0.72
[ 42831-50-5 ]
5-Methylisoxazole-4-carboxylic acid
Similarity: 0.60
[ 105174-97-8 ]
Ethyl 3-bromoisoxazole-5-carboxylate
Similarity: 0.89
[ 220780-57-4 ]
3-Bromoisoxazole-5-carbaldehyde
Similarity: 0.86
[ 25742-00-1 ]
(3-Bromoisoxazol-5-yl)methanol
Similarity: 0.81
[ 261350-46-3 ]
4-Methylisoxazole-5-carboxylic acid
Similarity: 0.76