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) ]} | {[ 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. : | 885950-21-0 | MDL No. : | MFCD06659617 |
Formula : | C8H4BrN3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | UOQHWNPVNXSDDO-UHFFFAOYSA-N |
M.W : | 222.04 | Pubchem ID : | 2764571 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 47.61 |
TPSA : | 41.09 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) : | -5.87 cm/s |
Log Po/w (iLOGP) : | 1.8 |
Log Po/w (XLOGP3) : | 2.51 |
Log Po/w (WLOGP) : | 1.97 |
Log Po/w (MLOGP) : | 0.82 |
Log Po/w (SILICOS-IT) : | 1.55 |
Consensus Log Po/w : | 1.73 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.35 |
Solubility : | 0.0985 mg/ml ; 0.000444 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.02 |
Solubility : | 0.213 mg/ml ; 0.000958 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.03 |
Solubility : | 0.207 mg/ml ; 0.000931 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.99 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P301+P312-P302+P352-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
![]() |
[ 1383718-53-3 ]
3-Bromoimidazo[1,2-a]pyridine-8-carbonitrile
Similarity: 0.98
[ 1221792-63-7 ]
3,8-Dibromoimidazo[1,2-a]pyridine-6-carbonitrile
Similarity: 0.92
[ 866135-71-9 ]
3-Bromo-6-methylimidazo[1,2-a]pyridine
Similarity: 0.91
[ 1072944-60-5 ]
3-Bromo-6-methylimidazo[1,2-a]pyridine hydrochloride
Similarity: 0.89
[ 866135-66-2 ]
3-Bromo-8-methylimidazo[1,2-a]pyridine
Similarity: 0.89
[ 1383718-53-3 ]
3-Bromoimidazo[1,2-a]pyridine-8-carbonitrile
Similarity: 0.98
[ 1221792-63-7 ]
3,8-Dibromoimidazo[1,2-a]pyridine-6-carbonitrile
Similarity: 0.92
[ 1383718-53-3 ]
3-Bromoimidazo[1,2-a]pyridine-8-carbonitrile
Similarity: 0.98
[ 1221792-63-7 ]
3,8-Dibromoimidazo[1,2-a]pyridine-6-carbonitrile
Similarity: 0.92
[ 866135-71-9 ]
3-Bromo-6-methylimidazo[1,2-a]pyridine
Similarity: 0.91
[ 1072944-60-5 ]
3-Bromo-6-methylimidazo[1,2-a]pyridine hydrochloride
Similarity: 0.89
[ 866135-66-2 ]
3-Bromo-8-methylimidazo[1,2-a]pyridine
Similarity: 0.89