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. : | 127972-17-2 | MDL No. : | MFCD06801733 |
Formula : | C14H15BO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AMBDTEZABFLVAD-UHFFFAOYSA-N |
M.W : | 242.08 | Pubchem ID : | 14631588 |
Synonyms : |
|
Num. heavy atoms : | 18 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.14 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 72.21 |
TPSA : | 49.69 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.89 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 2.66 |
Log Po/w (WLOGP) : | 1.1 |
Log Po/w (MLOGP) : | 1.8 |
Log Po/w (SILICOS-IT) : | 1.26 |
Consensus Log Po/w : | 1.37 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.25 |
Solubility : | 0.137 mg/ml ; 0.000568 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.35 |
Solubility : | 0.107 mg/ml ; 0.000442 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.34 |
Solubility : | 0.011 mg/ml ; 0.0000453 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.3 |
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.
[ 685514-61-8 ]
(2,3-Dihydrobenzofuran-7-yl)boronic acid
Similarity: 0.95
[ 123291-97-4 ]
2-Ethoxy-5-methylphenylboronic acid
Similarity: 0.95
[ 146631-00-7 ]
(4-(Benzyloxy)phenyl)boronic acid
Similarity: 0.92
[ 227305-69-3 ]
2,3-Dihydrobenzofuran-5-boronic acid
Similarity: 0.90
[ 156682-54-1 ]
(3-(Benzyloxy)phenyl)boronic acid
Similarity: 0.90
[ 123291-97-4 ]
2-Ethoxy-5-methylphenylboronic acid
Similarity: 0.95
[ 146631-00-7 ]
(4-(Benzyloxy)phenyl)boronic acid
Similarity: 0.92
[ 156682-54-1 ]
(3-(Benzyloxy)phenyl)boronic acid
Similarity: 0.90
[ 338454-30-1 ]
(4-(Benzyloxy)-3-methylphenyl)boronic acid
Similarity: 0.89
[ 847560-49-0 ]
4-Benzyloxy-2-methylphenylboronic acid
Similarity: 0.89
[ 123291-97-4 ]
2-Ethoxy-5-methylphenylboronic acid
Similarity: 0.95
[ 146631-00-7 ]
(4-(Benzyloxy)phenyl)boronic acid
Similarity: 0.92
[ 156682-54-1 ]
(3-(Benzyloxy)phenyl)boronic acid
Similarity: 0.90
[ 338454-30-1 ]
(4-(Benzyloxy)-3-methylphenyl)boronic acid
Similarity: 0.89
[ 847560-49-0 ]
4-Benzyloxy-2-methylphenylboronic acid
Similarity: 0.89