Home Cart 0 Sign in  
X

[ CAS No. 18614-46-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 18614-46-5
Chemical Structure| 18614-46-5
Chemical Structure| 18614-46-5
Structure of 18614-46-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 18614-46-5 ]

Related Doc. of [ 18614-46-5 ]

Alternatived Products of [ 18614-46-5 ]
Product Citations

Product Details of [ 18614-46-5 ]

CAS No. :18614-46-5 MDL No. :MFCD04112489
Formula : C5H3FN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :BOGKTBKWDIUAGK-UHFFFAOYSA-N
M.W : 142.09 Pubchem ID :2762829
Synonyms :

Calculated chemistry of [ 18614-46-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 33.02
TPSA : 58.71 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.38 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.12
Log Po/w (XLOGP3) : 1.11
Log Po/w (WLOGP) : 1.55
Log Po/w (MLOGP) : 0.49
Log Po/w (SILICOS-IT) : -0.3
Consensus Log Po/w : 0.79

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.8
Solubility : 2.26 mg/ml ; 0.0159 mol/l
Class : Very soluble
Log S (Ali) : -1.94
Solubility : 1.65 mg/ml ; 0.0116 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.66
Solubility : 3.11 mg/ml ; 0.0219 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.97

Safety of [ 18614-46-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 18614-46-5 ]

* 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.

  • Downstream synthetic route of [ 18614-46-5 ]

[ 18614-46-5 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 116241-58-8 ]
  • [ 18614-46-5 ]
YieldReaction ConditionsOperation in experiment
31 % Chromat. With pyridine for 0.0833333h; Ambient temperature;
YieldReaction ConditionsOperation in experiment
2-Amino-4-nitropyridin, NaNO2, wss. HF;
  • 3
  • [ 1122-61-8 ]
  • [ 18614-46-5 ]
  • 4
  • [ 18614-46-5 ]
  • [ 1429757-65-2 ]
  • N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-((4-nitropyridin-2-yl)oxy)-quinazolin-4-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
82.1% With potassium carbonate In N,N-dimethyl-formamide at 0 - 50℃; for 6h; General procedure for the preparation of intermediates 2a-2e General procedure: To a solution of compound 1 (5.00 g, 14.1 mmol), potassium carbonate (K2CO3) (5.85 g, 42.3 mmol) in N,N-dimethylformamide (DMF) (50.0 mL),was dropwised 1-fluoro-4-nitrobenzene (1.50 mL, 14.1 mmol) slowly at 0 . After addition, the reaction mixture was allowed to stir for 6 h at 50 and TLC indicated complete consumption of the starting material. The reaction mixture was partitioned between water and ethyl acetate, the organic layers were combined, dried, filtered, and concentrated. The residue was purified by chromatography to afford the compound 2a as yellow powder (5.8 g, 86.6%).1 H NMR (400 MHz, DMSO-d6) δ 9.78 (s, 1H), 8.48 (s, 1H), 8.30 (s, 1H), 8.21 (d, J = 9.3 Hz, 2H), 7.52 (s, 2H), 7.44 (s, 1H), 7.13 (d, J = 9.3 Hz, 2H), 3.87 (s, 3H).
  • 5
  • [ 18614-46-5 ]
  • (E)-N-(2-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)pyridin-4-yl)but-2-enamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 0 - 50 °C 2: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 40 °C 3: anhydrous sodium carbonate / tetrahydrofuran / 1.5 h / 0 - 20 °C
  • 6
  • [ 18614-46-5 ]
  • N-(2-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)pyridin-4-yl)methacrylamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 0 - 50 °C 2: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 40 °C 3: anhydrous sodium carbonate / tetrahydrofuran / 1.5 h / 0 - 20 °C
  • 7
  • [ 18614-46-5 ]
  • N-(2-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)pyridin-4-yl)-3-methylbut-2- enamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 0 - 50 °C 2: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 40 °C 3: anhydrous sodium carbonate / tetrahydrofuran / 1.5 h / 0 - 20 °C
  • 8
  • [ 18614-46-5 ]
  • 6-((4-aminopyridin-2-yl)oxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazolin-4-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 0 - 50 °C 2: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 40 °C
  • 9
  • [ 18614-46-5 ]
  • N-(2-((4-((3,4-dichloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)pyridin-4-yl)acrylamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 6 h / 0 - 50 °C 2: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 40 °C 3: anhydrous sodium carbonate / tetrahydrofuran / 1.5 h / 0 - 20 °C
Recommend Products
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 18614-46-5 ]

Fluorinated Building Blocks

Chemical Structure| 1807176-11-9

[ 1807176-11-9 ]

2,6-Difluoro-4-nitropyridine

Similarity: 1.00

Chemical Structure| 456-24-6

[ 456-24-6 ]

2-Fluoro-5-nitropyridine

Similarity: 0.86

Chemical Structure| 1783446-43-4

[ 1783446-43-4 ]

2,5-Difluoro-4-nitropyridine

Similarity: 0.85

Chemical Structure| 1807176-11-9

[ 1807176-11-9 ]

2,6-Difluoro-4-nitropyridine

Similarity: 1.00

Chemical Structure| 456-24-6

[ 456-24-6 ]

2-Fluoro-5-nitropyridine

Similarity: 0.86

Nitroes

Chemical Structure| 1807176-11-9

[ 1807176-11-9 ]

2,6-Difluoro-4-nitropyridine

Similarity: 1.00

Chemical Structure| 456-24-6

[ 456-24-6 ]

2-Fluoro-5-nitropyridine

Similarity: 0.86

Chemical Structure| 1783446-43-4

[ 1783446-43-4 ]

2,5-Difluoro-4-nitropyridine

Similarity: 0.85

Chemical Structure| 1807176-11-9

[ 1807176-11-9 ]

2,6-Difluoro-4-nitropyridine

Similarity: 1.00

Chemical Structure| 456-24-6

[ 456-24-6 ]

2-Fluoro-5-nitropyridine

Similarity: 0.86

Related Parent Nucleus of
[ 18614-46-5 ]

Pyridines

Chemical Structure| 1807176-11-9

[ 1807176-11-9 ]

2,6-Difluoro-4-nitropyridine

Similarity: 1.00

Chemical Structure| 456-24-6

[ 456-24-6 ]

2-Fluoro-5-nitropyridine

Similarity: 0.86

Chemical Structure| 1783446-43-4

[ 1783446-43-4 ]

2,5-Difluoro-4-nitropyridine

Similarity: 0.85

Chemical Structure| 1807176-11-9

[ 1807176-11-9 ]

2,6-Difluoro-4-nitropyridine

Similarity: 1.00

Chemical Structure| 456-24-6

[ 456-24-6 ]

2-Fluoro-5-nitropyridine

Similarity: 0.86