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. : | 864772-18-9 | MDL No. : | MFCD11973622 |
Formula : | C18H21BO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | TUDMWVDLOSLEPT-UHFFFAOYSA-N |
M.W : | 296.17 | Pubchem ID : | 58127671 |
Synonyms : |
|
Num. heavy atoms : | 22 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.33 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 89.43 |
TPSA : | 27.69 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -4.95 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 4.44 |
Log Po/w (WLOGP) : | 3.78 |
Log Po/w (MLOGP) : | 2.66 |
Log Po/w (SILICOS-IT) : | 2.98 |
Consensus Log Po/w : | 2.77 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.68 |
Solubility : | 0.0062 mg/ml ; 0.0000209 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -4.74 |
Solubility : | 0.00539 mg/ml ; 0.0000182 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -6.24 |
Solubility : | 0.000169 mg/ml ; 0.00000057 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.36 |
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.
[ 269410-26-6 ]
4,4,5,5-Tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane
Similarity: 0.98
[ 938063-51-5 ]
4-(tert-Butoxy)phenylboronic Acid Pinacol Ester
Similarity: 0.97
[ 325142-84-5 ]
2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Similarity: 0.97
[ 365564-07-4 ]
2-(3,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Similarity: 0.96
[ 171364-79-7 ]
2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Similarity: 0.95
[ 269410-26-6 ]
4,4,5,5-Tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane
Similarity: 0.98
[ 938063-51-5 ]
4-(tert-Butoxy)phenylboronic Acid Pinacol Ester
Similarity: 0.97
[ 325142-84-5 ]
2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Similarity: 0.97
[ 365564-07-4 ]
2-(3,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Similarity: 0.96
[ 171364-79-7 ]
2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Similarity: 0.95
[ 269410-26-6 ]
4,4,5,5-Tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane
Similarity: 0.98
[ 938063-51-5 ]
4-(tert-Butoxy)phenylboronic Acid Pinacol Ester
Similarity: 0.97
[ 325142-84-5 ]
2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Similarity: 0.97
[ 365564-07-4 ]
2-(3,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Similarity: 0.96
[ 171364-79-7 ]
2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Similarity: 0.95