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. : | 144-90-1 | MDL No. : | MFCD00008145 |
Formula : | C4H9NO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QCHPKSFMDHPSNR-UHFFFAOYSA-N |
M.W : | 103.12 | Pubchem ID : | 64956 |
Synonyms : |
3-Aminoisobutyric acid;3-Aminoisobutyrate;β-aminoisobutyric acid
|
Num. heavy atoms : | 7 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.75 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 25.82 |
TPSA : | 63.32 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) : | -9.01 cm/s |
Log Po/w (iLOGP) : | 0.69 |
Log Po/w (XLOGP3) : | -2.93 |
Log Po/w (WLOGP) : | -0.33 |
Log Po/w (MLOGP) : | -0.39 |
Log Po/w (SILICOS-IT) : | -0.73 |
Consensus Log Po/w : | -0.74 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 3.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 1.5 |
Solubility : | 3250.0 mg/ml ; 31.5 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 2.16 |
Solubility : | 14900.0 mg/ml ; 144.0 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 0.34 |
Solubility : | 225.0 mg/ml ; 2.18 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.12 |
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.