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. : | 1312713-37-3 | MDL No. : | MFCD25509459 |
Formula : | C16H30BNO4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | XIVFJLQPKAVJRP-UHFFFAOYSA-N |
M.W : | 311.22 | Pubchem ID : | 71700020 |
Synonyms : |
|
Num. heavy atoms : | 22 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.94 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 92.38 |
TPSA : | 48.0 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -6.15 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 2.88 |
Log Po/w (WLOGP) : | 3.1 |
Log Po/w (MLOGP) : | 1.65 |
Log Po/w (SILICOS-IT) : | 1.19 |
Consensus Log Po/w : | 1.76 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.32 |
Solubility : | 0.149 mg/ml ; 0.000479 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.55 |
Solubility : | 0.0882 mg/ml ; 0.000283 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.86 |
Solubility : | 0.433 mg/ml ; 0.00139 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 3.84 |
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: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
62% | With copper acetylacetonate; lithium hydroxide monohydrate; magnesium chloride In 1,4-dioxane; N,N-dimethyl-formamide at 20℃; for 0.166667h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: diisopropyl-carbodiimide / dichloromethane 2: copper acetylacetonate; lithium hydroxide monohydrate; magnesium chloride / 1,4-dioxane; N,N-dimethyl-formamide / 0.17 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With 2-methyl-1,10-phenanthroline; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In Cyclooctan at 100℃; Inert atmosphere; Overall yield = 41 percent; regioselective reaction; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
68% | Stage #1: 2,2'-bis(1,3,2-benzodioxaborole); NHP-ester of N-Boc-protected nipecotic acid With tetrabutylammonium tetrafluoroborate; N,N-dimethyl-formamide at 20℃; for 6h; Electrolysis; Inert atmosphere; Stage #2: 2,3-dimethyl-2,3-butane diol With triethylamine at 20℃; for 2h; Electrolysis; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With lithium fluoride In acetonitrile at 72℃; for 1h; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: lithium fluoride / acetonitrile / 1 h / 72 °C 2: methanol / 4 h / 20 °C |
[ 1312712-22-3 ]
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate
Similarity: 0.93
[ 2820191-51-1 ]
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)azepane-1-carboxylate
Similarity: 0.93
[ 1048970-17-7 ]
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
Similarity: 0.93
[ 1425335-44-9 ]
tert-Butyl 4-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)piperidine-1-carboxylate
Similarity: 0.92
[ 1312712-22-3 ]
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate
Similarity: 0.93
[ 2820191-51-1 ]
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)azepane-1-carboxylate
Similarity: 0.93
[ 1048970-17-7 ]
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
Similarity: 0.93
[ 1425335-44-9 ]
tert-Butyl 4-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)piperidine-1-carboxylate
Similarity: 0.92
[ 2095495-26-2 ]
tert-Butyl 1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
Similarity: 0.95
[ 2304631-46-5 ]
TERT-BUTYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-8-AZASPIRO[4.5]DECANE-8-CARBOXYLATE
Similarity: 0.95
[ 2304631-34-1 ]
TERT-BUTYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-7-AZASPIRO[4.5]DECANE-7-CARBOXYLATE
Similarity: 0.93
[ 1312712-22-3 ]
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidine-1-carboxylate
Similarity: 0.93
[ 1048970-17-7 ]
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
Similarity: 0.93
[ 1048970-17-7 ]
tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine-1-carboxylate
Similarity: 0.93
[ 1425335-44-9 ]
tert-Butyl 4-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)piperidine-1-carboxylate
Similarity: 0.92