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. : | 883539-33-1 | MDL No. : | MFCD07186426 |
Formula : | C7H10N2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | QIBUBNNYBJRUAV-UHFFFAOYSA-N |
M.W : | 154.17 | Pubchem ID : | 3159666 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.43 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 39.84 |
TPSA : | 55.12 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) : | -6.86 cm/s |
Log Po/w (iLOGP) : | 1.01 |
Log Po/w (XLOGP3) : | 0.54 |
Log Po/w (WLOGP) : | 0.53 |
Log Po/w (MLOGP) : | -0.34 |
Log Po/w (SILICOS-IT) : | 0.33 |
Consensus Log Po/w : | 0.41 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -1.27 |
Solubility : | 8.2 mg/ml ; 0.0532 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.27 |
Solubility : | 8.3 mg/ml ; 0.0538 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.96 |
Solubility : | 16.7 mg/ml ; 0.108 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.93 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 22884-10-2 ]
2-(1H-Imidazol-1-yl)acetic acid
Similarity: 0.79
[ 20485-43-2 ]
1-Methyl-1H-imidazole-2-carboxylic acid
Similarity: 0.78
[ 87266-37-3 ]
2-(1H-Imidazol-1-yl)acetic acid hydrochloride
Similarity: 0.77
[ 178388-79-9 ]
3-(1H-Imidazol-2-yl)propanoic acid
Similarity: 0.72
[ 189502-92-9 ]
2-(1H-Imidazol-2-yl)acetic acid
Similarity: 0.72
[ 934172-26-6 ]
Ethyl 2-(2-ethyl-1H-imidazol-1-yl)acetate
Similarity: 0.88
[ 22884-10-2 ]
2-(1H-Imidazol-1-yl)acetic acid
Similarity: 0.79
[ 20485-43-2 ]
1-Methyl-1H-imidazole-2-carboxylic acid
Similarity: 0.78
[ 87266-37-3 ]
2-(1H-Imidazol-1-yl)acetic acid hydrochloride
Similarity: 0.77
[ 85692-37-1 ]
1-(1-Methyl-1H-imidazol-2-yl)ethanone
Similarity: 0.76