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. : | 1208084-77-8 | MDL No. : | MFCD12403879 |
Formula : | C5H3BrN4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | PWBGVYGIQJQOKQ-UHFFFAOYSA-N |
M.W : | 199.01 | Pubchem ID : | 70700776 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 38.48 |
TPSA : | 43.08 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) : | -6.65 cm/s |
Log Po/w (iLOGP) : | 1.05 |
Log Po/w (XLOGP3) : | 1.22 |
Log Po/w (WLOGP) : | 0.89 |
Log Po/w (MLOGP) : | 0.3 |
Log Po/w (SILICOS-IT) : | 0.78 |
Consensus Log Po/w : | 0.85 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.51 |
Solubility : | 0.617 mg/ml ; 0.0031 mol/l |
Class : | Soluble |
Log S (Ali) : | -1.72 |
Solubility : | 3.78 mg/ml ; 0.019 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -2.2 |
Solubility : | 1.26 mg/ml ; 0.00635 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.7 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 99451-55-5 ]
8-Bromo-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine
Similarity: 0.79
[ 54230-90-9 ]
8-Bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
Similarity: 0.68
[ 56181-38-5 ]
5-Bromo-N-methylpyrimidin-4-amine
Similarity: 0.63
[ 108281-79-4 ]
6-Bromo-[1,2,4]triazolo[4,3-a]pyridine
Similarity: 0.59
[ 139502-01-5 ]
5-Bromo-2-chloro-4-morpholinopyrimidine
Similarity: 0.57
[ 99451-55-5 ]
8-Bromo-5-(methylthio)-[1,2,4]triazolo[4,3-c]pyrimidine
Similarity: 0.79
[ 54230-90-9 ]
8-Bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
Similarity: 0.68
[ 108281-79-4 ]
6-Bromo-[1,2,4]triazolo[4,3-a]pyridine
Similarity: 0.59
[ 1190927-76-4 ]
7-Bromo-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
Similarity: 0.57
[ 1253789-47-7 ]
6-Bromo-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine
Similarity: 0.56