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. : | 332134-60-8 | MDL No. : | MFCD07772824 |
Formula : | C9H11BrN2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | RCGFRLCJCFDVOQ-UHFFFAOYSA-N |
M.W : | 243.10 | Pubchem ID : | 7164599 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.44 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 57.66 |
TPSA : | 25.36 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) : | -6.39 cm/s |
Log Po/w (iLOGP) : | 2.3 |
Log Po/w (XLOGP3) : | 1.96 |
Log Po/w (WLOGP) : | 1.3 |
Log Po/w (MLOGP) : | 1.38 |
Log Po/w (SILICOS-IT) : | 2.12 |
Consensus Log Po/w : | 1.81 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.86 |
Solubility : | 0.337 mg/ml ; 0.00139 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.12 |
Solubility : | 1.85 mg/ml ; 0.00763 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -3.07 |
Solubility : | 0.207 mg/ml ; 0.000853 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 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: |
[ 1049023-41-7 ]
4-(2-Bromopyridin-4-yl)morpholine
Similarity: 0.70
[ 663194-10-3 ]
4-(4-Bromopyrimidin-2-yl)morpholine
Similarity: 0.59
[ 73895-98-4 ]
6-Bromo-4-methylpyridin-2-amine
Similarity: 0.58
[ 1234616-25-1 ]
4-Bromo-1-methyl-1H-pyrrolo[2,3-b]pyridine
Similarity: 0.55
[ 1049023-41-7 ]
4-(2-Bromopyridin-4-yl)morpholine
Similarity: 0.70
[ 663194-10-3 ]
4-(4-Bromopyrimidin-2-yl)morpholine
Similarity: 0.59
[ 1049023-41-7 ]
4-(2-Bromopyridin-4-yl)morpholine
Similarity: 0.70
[ 476342-37-7 ]
1-(5-Aminopyridin-2-yl)piperidin-4-ol
Similarity: 0.59
[ 578726-67-7 ]
6-(Diethylamino)nicotinaldehyde
Similarity: 0.59