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. : | 73903-18-1 | MDL No. : | MFCD09832097 |
Formula : | C8H5N3O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | GSEMJEXTHJEELQ-UHFFFAOYSA-N |
M.W : | 207.14 | Pubchem ID : | 10560239 |
Synonyms : |
|
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 51.88 |
TPSA : | 111.8 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) : | -6.65 cm/s |
Log Po/w (iLOGP) : | 0.12 |
Log Po/w (XLOGP3) : | 1.29 |
Log Po/w (WLOGP) : | 1.17 |
Log Po/w (MLOGP) : | -0.38 |
Log Po/w (SILICOS-IT) : | -0.79 |
Consensus Log Po/w : | 0.28 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.25 |
Solubility : | 1.17 mg/ml ; 0.00564 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.24 |
Solubility : | 0.12 mg/ml ; 0.000579 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -1.67 |
Solubility : | 4.41 mg/ml ; 0.0213 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.98 |
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: |
* 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.
[ 2849-93-6 ]
1H-Benzimidazole-2-carboxylic acid
Similarity: 0.84
[ 40197-20-4 ]
5-Bromo-1H-benzo[d]imidazole-2-carboxylic acid
Similarity: 0.78
[ 97640-15-8 ]
3H-Imidazo[4,5-b]pyridine-2-carboxylic acid
Similarity: 0.63
[ 41270-74-0 ]
5-Phenyl-1H-imidazole-2-carboxylic acid
Similarity: 0.59
[ 14840-18-7 ]
3-(1H-Benzo[d]imidazol-1-yl)propanoic acid
Similarity: 0.57
[ 1792-40-1 ]
2-Methyl-5-nitro-1H-benzo[d]imidazole
Similarity: 0.80
[ 20034-00-8 ]
(5-Nitro-1H-benzo[d]imidazol-2-yl)methanol
Similarity: 0.79
[ 76320-88-2 ]
2-Methyl-4-nitro-1H-benzo[d]imidazole
Similarity: 0.76
[ 1571-85-3 ]
6-Nitro-2-phenyl-1H-benzo[d]imidazole
Similarity: 0.68
[ 6232-92-4 ]
6-Nitro-1H-benzo[d]imidazol-2-amine
Similarity: 0.65
[ 2849-93-6 ]
1H-Benzimidazole-2-carboxylic acid
Similarity: 0.84
[ 1792-40-1 ]
2-Methyl-5-nitro-1H-benzo[d]imidazole
Similarity: 0.80
[ 20034-00-8 ]
(5-Nitro-1H-benzo[d]imidazol-2-yl)methanol
Similarity: 0.79
[ N/A ]
Methyl 5-amino-1H-benzo[d]imidazole-2-carboxylate hydrochloride-Deleted-NAME
Similarity: 0.78
[ 5805-53-8 ]
Methyl 1H-benzo[d]imidazole-2-carboxylate
Similarity: 0.78