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. : | 861383-73-5 | MDL No. : | MFCD11046966 |
Formula : | C5H4BrClN2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | TXPSNWJFOBWSCB-UHFFFAOYSA-N |
M.W : | 207.46 | Pubchem ID : | 24903811 |
Synonyms : |
|
Num. heavy atoms : | 9 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.2 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 39.71 |
TPSA : | 25.78 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) : | -5.96 cm/s |
Log Po/w (iLOGP) : | 2.07 |
Log Po/w (XLOGP3) : | 2.26 |
Log Po/w (WLOGP) : | 2.2 |
Log Po/w (MLOGP) : | 1.33 |
Log Po/w (SILICOS-IT) : | 2.7 |
Consensus Log Po/w : | 2.11 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.04 |
Solubility : | 0.188 mg/ml ; 0.000905 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.44 |
Solubility : | 0.757 mg/ml ; 0.00365 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.51 |
Solubility : | 0.0635 mg/ml ; 0.000306 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.73 |
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: |
[ 69696-35-1 ]
5-Bromo-4-chloro-2,6-dimethylpyrimidine
Similarity: 0.86
[ 1044767-99-8 ]
5-Bromo-4-chloropyrimidin-2-amine
Similarity: 0.76
[ 36082-50-5 ]
5-Bromo-2,4-dichloropyrimidine
Similarity: 0.75
[ 69696-35-1 ]
5-Bromo-4-chloro-2,6-dimethylpyrimidine
Similarity: 0.86
[ 1044767-99-8 ]
5-Bromo-4-chloropyrimidin-2-amine
Similarity: 0.76
[ 36082-50-5 ]
5-Bromo-2,4-dichloropyrimidine
Similarity: 0.75
[ 68797-61-5 ]
5-Bromo-4,6-dichloropyrimidine
Similarity: 0.70
[ 69696-35-1 ]
5-Bromo-4-chloro-2,6-dimethylpyrimidine
Similarity: 0.86
[ 1044767-99-8 ]
5-Bromo-4-chloropyrimidin-2-amine
Similarity: 0.76
[ 36082-50-5 ]
5-Bromo-2,4-dichloropyrimidine
Similarity: 0.75