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. : | 1261118-04-0 | MDL No. : | MFCD22690264 |
Formula : | C14H14FN3O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | GZQJVZDBKJDVBY-UHFFFAOYSA-N |
M.W : | 259.28 | Pubchem ID : | 57521782 |
Synonyms : |
|
Num. heavy atoms : | 19 |
Num. arom. heavy atoms : | 11 |
Fraction Csp3 : | 0.29 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 72.96 |
TPSA : | 46.92 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.87 cm/s |
Log Po/w (iLOGP) : | 2.33 |
Log Po/w (XLOGP3) : | 1.42 |
Log Po/w (WLOGP) : | 1.99 |
Log Po/w (MLOGP) : | 1.46 |
Log Po/w (SILICOS-IT) : | 2.52 |
Consensus Log Po/w : | 1.94 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.7 |
Solubility : | 0.512 mg/ml ; 0.00197 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.01 |
Solubility : | 2.53 mg/ml ; 0.00977 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.74 |
Solubility : | 0.00469 mg/ml ; 0.0000181 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.76 |
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.
[ 870281-86-0 ]
(S)-2-(1-Aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
Similarity: 0.68
[ 1126635-20-8 ]
6-Fluoro-2-phenylimidazo[1,2-a]pyridine
Similarity: 0.66
[ 870281-85-9 ]
(S)-tert-Butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate
Similarity: 0.63
[ 864825-23-0 ]
(S)-1-(4-Phenyl-1H-imidazol-2-yl)ethanamine
Similarity: 0.71
[ 126052-29-7 ]
2-Phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
Similarity: 0.71
[ 870281-86-0 ]
(S)-2-(1-Aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
Similarity: 0.68
[ 1126635-20-8 ]
6-Fluoro-2-phenylimidazo[1,2-a]pyridine
Similarity: 0.66
[ 870281-86-0 ]
(S)-2-(1-Aminopropyl)-5-fluoro-3-phenylquinazolin-4(3H)-one
Similarity: 0.68
[ 870281-85-9 ]
(S)-tert-Butyl (1-(5-fluoro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)propyl)carbamate
Similarity: 0.63
[ 126052-29-7 ]
2-Phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
Similarity: 0.71
[ 1126635-20-8 ]
6-Fluoro-2-phenylimidazo[1,2-a]pyridine
Similarity: 0.66
[ 106961-33-5 ]
N,N-Dimethyl-1-(6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl)methanamine
Similarity: 0.60
[ 84378-44-9 ]
8-Fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylic acid
Similarity: 0.60