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. : | 1256360-63-0 | MDL No. : | MFCD17015838 |
Formula : | C15H24BNO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | KUQCOTSTUVAICI-UHFFFAOYSA-N |
M.W : | 261.17 | Pubchem ID : | 53217352 |
Synonyms : |
|
Num. heavy atoms : | 19 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.6 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 81.84 |
TPSA : | 30.49 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -5.27 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 3.69 |
Log Po/w (WLOGP) : | 2.62 |
Log Po/w (MLOGP) : | 1.92 |
Log Po/w (SILICOS-IT) : | 2.12 |
Consensus Log Po/w : | 2.07 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.82 |
Solubility : | 0.0396 mg/ml ; 0.000151 mol/l |
Class : | Soluble |
Log S (Ali) : | -4.02 |
Solubility : | 0.0249 mg/ml ; 0.0000954 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -4.87 |
Solubility : | 0.00349 mg/ml ; 0.0000134 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.96 |
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: |
[ 267221-88-5 ]
N,N-Diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Similarity: 0.94
[ 656257-45-3 ]
4-(4-Ethylpiperazin-1-yl)phenylboronic acid pinacol ester
Similarity: 0.93
[ 171364-78-6 ]
N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Similarity: 0.91
[ 214360-60-8 ]
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
Similarity: 0.89
[ 852227-90-8 ]
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine
Similarity: 0.89
[ 267221-88-5 ]
N,N-Diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Similarity: 0.94
[ 656257-45-3 ]
4-(4-Ethylpiperazin-1-yl)phenylboronic acid pinacol ester
Similarity: 0.93
[ 171364-78-6 ]
N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Similarity: 0.91
[ 214360-60-8 ]
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
Similarity: 0.89
[ 852227-90-8 ]
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyrrolidine
Similarity: 0.89
[ 267221-88-5 ]
N,N-Diphenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Similarity: 0.94
[ 171364-78-6 ]
N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Similarity: 0.91
[ 214360-60-8 ]
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
Similarity: 0.89
[ 214360-73-3 ]
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Similarity: 0.88
[ 874363-18-5 ]
N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acrylamide
Similarity: 0.88