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. : | 756817-82-0 | MDL No. : | MFCD10696933 |
Formula : | C6H10BN3O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JHGMROYFIMQNCI-UHFFFAOYSA-N |
M.W : | 166.97 | Pubchem ID : | 45088929 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.33 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 46.06 |
TPSA : | 69.48 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) : | -7.63 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | -0.44 |
Log Po/w (WLOGP) : | -1.78 |
Log Po/w (MLOGP) : | -1.62 |
Log Po/w (SILICOS-IT) : | -2.12 |
Consensus Log Po/w : | -1.19 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.84 |
Solubility : | 24.4 mg/ml ; 0.146 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.55 |
Solubility : | 46.7 mg/ml ; 0.279 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.65 |
Solubility : | 37.6 mg/ml ; 0.225 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.1 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 936250-22-5 ]
(2-Aminopyrimidin-5-yl)boronic acid
Similarity: 0.88
[ 1411643-59-8 ]
(2-(Azetidin-1-yl)pyrimidin-5-yl)boronic acid
Similarity: 0.87
[ 870521-33-8 ]
2-Morpholinopyrimidin-5-ylboronic acid
Similarity: 0.83
[ 1034924-06-5 ]
(2-Methylpyrimidin-5-yl)boronic acid
Similarity: 0.70
[ 936250-22-5 ]
(2-Aminopyrimidin-5-yl)boronic acid
Similarity: 0.88
[ 883231-25-2 ]
(2-((tert-Butoxycarbonyl)amino)pyrimidin-5-yl)boronic acid
Similarity: 0.69
[ 1218791-44-6 ]
N-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
Similarity: 0.69
[ 1218791-46-8 ]
N-Isopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
Similarity: 0.67
[ 402960-38-7 ]
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
Similarity: 0.66
[ 936250-22-5 ]
(2-Aminopyrimidin-5-yl)boronic acid
Similarity: 0.88
[ 1411643-59-8 ]
(2-(Azetidin-1-yl)pyrimidin-5-yl)boronic acid
Similarity: 0.87
[ 870521-33-8 ]
2-Morpholinopyrimidin-5-ylboronic acid
Similarity: 0.83
[ 1034924-06-5 ]
(2-Methylpyrimidin-5-yl)boronic acid
Similarity: 0.70