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. : | 186498-36-2 | MDL No. : | MFCD04039038 |
Formula : | C9H11BO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | SUXBGJJJOLDLKL-UHFFFAOYSA-N |
M.W : | 177.99 | Pubchem ID : | 4197863 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.22 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 51.27 |
TPSA : | 57.53 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.69 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 0.98 |
Log Po/w (WLOGP) : | -0.04 |
Log Po/w (MLOGP) : | 0.29 |
Log Po/w (SILICOS-IT) : | -0.08 |
Consensus Log Po/w : | 0.23 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.7 |
Solubility : | 3.51 mg/ml ; 0.0197 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.78 |
Solubility : | 2.98 mg/ml ; 0.0167 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -2.03 |
Solubility : | 1.67 mg/ml ; 0.0094 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.53 |
Signal Word: | Warning | Class: | |
Precautionary Statements: | P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P501 | UN#: | |
Hazard Statements: | H315-H319-H335 | Packing Group: | |
GHS Pictogram: |
[ 480438-64-0 ]
1-(3-Boronophenyl)propan-1-one
Similarity: 0.98
[ 480438-64-0 ]
1-(3-Boronophenyl)propan-1-one
Similarity: 0.98
[ 540495-55-4 ]
2-Methyl-4-propanoylphenylboronic acid
Similarity: 0.93
[ 186498-27-1 ]
(4-Isobutyrylphenyl)boronic acid
Similarity: 0.93
[ 480438-64-0 ]
1-(3-Boronophenyl)propan-1-one
Similarity: 0.98
[ 540495-55-4 ]
2-Methyl-4-propanoylphenylboronic acid
Similarity: 0.93
[ 186498-27-1 ]
(4-Isobutyrylphenyl)boronic acid
Similarity: 0.93