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. : | 26751-24-6 | MDL No. : | MFCD03839866 |
Formula : | C8H10N2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | LQXRWFGXMQZLIV-UHFFFAOYSA-N |
M.W : | 166.18 | Pubchem ID : | 11030183 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 42.6 |
TPSA : | 65.98 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) : | -7.09 cm/s |
Log Po/w (iLOGP) : | 0.45 |
Log Po/w (XLOGP3) : | 0.32 |
Log Po/w (WLOGP) : | 0.6 |
Log Po/w (MLOGP) : | -0.01 |
Log Po/w (SILICOS-IT) : | 1.31 |
Consensus Log Po/w : | 0.53 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.31 |
Solubility : | 8.06 mg/ml ; 0.0485 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.27 |
Solubility : | 8.95 mg/ml ; 0.0538 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.48 |
Solubility : | 5.52 mg/ml ; 0.0332 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.6 |
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: |
[ 131020-57-0 ]
4,5,6,7-Tetrahydro-1H-benzo[d]imidazole-5-carboxylic acid hydrochloride
Similarity: 0.98
[ 3251-69-2 ]
2-(1H-Imidazol-5-yl)acetic acid hydrochloride
Similarity: 0.71
[ 46006-36-4 ]
1H-Benzimidazole-7-carboxylic acid
Similarity: 0.63
[ 473895-86-2 ]
2-(1H-Benzo[d]imidazol-6-yl)acetic acid
Similarity: 0.60
[ 131020-57-0 ]
4,5,6,7-Tetrahydro-1H-benzo[d]imidazole-5-carboxylic acid hydrochloride
Similarity: 0.98
[ 3752-24-7 ]
4,5,6,7-Tetrahydro-1H-benzo[d]imidazole
Similarity: 0.77
[ 139183-91-8 ]
Methyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
Similarity: 0.71
[ 879668-17-4 ]
4,5,6,7-Tetrahydro-3H-imidazo[4,5-c]pyridine hydrochloride
Similarity: 0.62
[ 62002-31-7 ]
4,5,6,7-Tetrahydro-3H-imidazo[4,5-c]pyridine dihydrochloride
Similarity: 0.62