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. : | 314771-88-5 | MDL No. : | MFCD18642924 |
Formula : | C18H14ClFN4O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | UXAZURVGMXJLSO-NSHDSACASA-N |
M.W : | 404.78 | Pubchem ID : | 54376755 |
Synonyms : |
|
Num. heavy atoms : | 28 |
Num. arom. heavy atoms : | 16 |
Fraction Csp3 : | 0.22 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 7.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 102.76 |
TPSA : | 102.09 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | Yes |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.94 cm/s |
Log Po/w (iLOGP) : | 2.62 |
Log Po/w (XLOGP3) : | 3.99 |
Log Po/w (WLOGP) : | 4.66 |
Log Po/w (MLOGP) : | 3.18 |
Log Po/w (SILICOS-IT) : | 1.81 |
Consensus Log Po/w : | 3.25 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.96 |
Solubility : | 0.00448 mg/ml ; 0.0000111 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -5.84 |
Solubility : | 0.000591 mg/ml ; 0.00000146 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -6.45 |
Solubility : | 0.000144 mg/ml ; 0.000000356 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 3.5 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: acetic acid; iron / tetrahydrofuran; water / 3 h / 25 - 30 °C 1.2: 1.5 h / 0 - 5 °C 2.1: hydrogenchloride / ethyl acetate / 0.25 h / 25 - 65 °C 2.2: 3 h / 55 - 60 °C 3.1: water; ethanol / 3 h / 0 - 5 °C / Inert atmosphere |
[ 162012-67-1 ]
N-(3-Chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
[ 314771-76-1 ]
(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
[ 179552-74-0 ]
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
Similarity: 0.93
[ 314771-76-1 ]
(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
Similarity: 0.91
[ 869199-61-1 ]
N-(3-Chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide
Similarity: 0.85
[ 179552-75-1 ]
N4-(3-Chloro-4-fluorophenyl)-7-methoxyquinazoline-4,6-diamine
Similarity: 0.83
[ 179552-74-0 ]
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
Similarity: 0.93
[ 314771-76-1 ]
(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
Similarity: 0.91
[ 869199-61-1 ]
N-(3-Chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide
Similarity: 0.85
[ 179552-75-1 ]
N4-(3-Chloro-4-fluorophenyl)-7-methoxyquinazoline-4,6-diamine
Similarity: 0.83
[ 179552-74-0 ]
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
Similarity: 0.93
[ 314771-76-1 ]
(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
Similarity: 0.91
[ 869199-61-1 ]
N-(3-Chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide
Similarity: 0.85
[ 179552-75-1 ]
N4-(3-Chloro-4-fluorophenyl)-7-methoxyquinazoline-4,6-diamine
Similarity: 0.83
[ 179552-74-0 ]
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
Similarity: 0.93
[ 314771-76-1 ]
(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
Similarity: 0.91
[ 869199-61-1 ]
N-(3-Chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide
Similarity: 0.85
[ 179552-75-1 ]
N4-(3-Chloro-4-fluorophenyl)-7-methoxyquinazoline-4,6-diamine
Similarity: 0.83
[ 179552-74-0 ]
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
Similarity: 0.93
[ 314771-76-1 ]
(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
Similarity: 0.91
[ 869199-61-1 ]
N-(3-Chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide
Similarity: 0.85
[ 179552-75-1 ]
N4-(3-Chloro-4-fluorophenyl)-7-methoxyquinazoline-4,6-diamine
Similarity: 0.83
[ 179552-74-0 ]
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
Similarity: 0.93
[ 869199-61-1 ]
N-(3-Chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide
Similarity: 0.85
[ 179552-73-9 ]
7-Chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine
Similarity: 0.76
[ 1421372-94-2 ]
N-(4-Fluoro-2-methoxy-5-nitrophenyl)-4-(1-methyl-1H-indol-3-yl)pyrimidin-2-amine
Similarity: 0.68
[ 179552-74-0 ]
N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
Similarity: 0.93
[ 314771-76-1 ]
(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
Similarity: 0.91
[ 869199-61-1 ]
N-(3-Chloro-4-fluorophenyl)-N-(7-methoxy-6-nitroquinazolin-4-yl)acetamide
Similarity: 0.85
[ 179552-75-1 ]
N4-(3-Chloro-4-fluorophenyl)-7-methoxyquinazoline-4,6-diamine
Similarity: 0.83
[ 314771-76-1 ]
(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine
Similarity: 0.91