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. : | 2377607-06-0 | MDL No. : | MFCD29043345 |
Formula : | C24H32BNO7 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | WBFSAVYRBYGACL-UHFFFAOYSA-N |
M.W : | 457.32 | Pubchem ID : | 118990940 |
Synonyms : |
|
Num. heavy atoms : | 33 |
Num. arom. heavy atoms : | 11 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 9 |
Num. H-bond acceptors : | 7.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 125.37 |
TPSA : | 85.22 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -5.84 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 4.57 |
Log Po/w (WLOGP) : | 3.78 |
Log Po/w (MLOGP) : | 2.09 |
Log Po/w (SILICOS-IT) : | 2.73 |
Consensus Log Po/w : | 2.63 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -5.21 |
Solubility : | 0.00284 mg/ml ; 0.00000621 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -6.08 |
Solubility : | 0.000378 mg/ml ; 0.000000826 mol/l |
Class : | Poorly soluble |
Log S (SILICOS-IT) : | -5.89 |
Solubility : | 0.000592 mg/ml ; 0.00000129 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 3.0 |
Synthetic accessibility : | 4.23 |
Signal Word: | Warning | Class: | |
Precautionary Statements: | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 | UN#: | |
Hazard Statements: | H315-H319-H335 | Packing Group: | |
GHS Pictogram: |
[ 1802005-04-4 ]
1-tert-Butyl 2-ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
Similarity: 0.91
[ 942070-38-4 ]
1-tert-Butyl 2-methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
Similarity: 0.91
[ 942070-38-4 ]
1-tert-Butyl 2-methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
Similarity: 0.91
[ 1233525-93-3 ]
2-Benzyl 1-(tert-butyl) 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
Similarity: 0.94
[ 1802005-04-4 ]
1-tert-Butyl 2-ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
Similarity: 0.91
[ 942070-38-4 ]
1-tert-Butyl 2-methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate
Similarity: 0.91