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. : | 1310383-30-2 | MDL No. : | MFCD26142700 |
Formula : | C6H7BO4S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | OCLHCOLQTGDYLB-UHFFFAOYSA-N |
M.W : | 185.99 | Pubchem ID : | 52987627 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.17 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 45.42 |
TPSA : | 95.0 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) : | -7.15 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 0.4 |
Log Po/w (WLOGP) : | -0.79 |
Log Po/w (MLOGP) : | -0.83 |
Log Po/w (SILICOS-IT) : | -0.14 |
Consensus Log Po/w : | -0.27 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.36 |
Solubility : | 8.2 mg/ml ; 0.0441 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.96 |
Solubility : | 2.03 mg/ml ; 0.0109 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.64 |
Solubility : | 43.1 mg/ml ; 0.232 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.71 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 632325-56-5 ]
(3-(Ethoxycarbonyl)thiophen-2-yl)boronic acid
Similarity: 0.99
[ 519054-53-6 ]
2-Boronothiophene-3-carboxylic acid
Similarity: 0.92
[ 519054-53-6 ]
2-Boronothiophene-3-carboxylic acid
Similarity: 0.92
[ 222840-73-5 ]
(3-(Hydroxymethyl)thiophen-2-yl)boronic acid
Similarity: 0.82
[ 17303-83-2 ]
(3-Formylthiophen-2-yl)boronic acid
Similarity: 0.80