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[ CAS No. 2369-29-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2369-29-1
Chemical Structure| 2369-29-1
Structure of 2369-29-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 2369-29-1 ]

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Product Citations

Product Details of [ 2369-29-1 ]

CAS No. :2369-29-1 MDL No. :MFCD00973899
Formula : C6H6F2N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :QGNXDMSEEPNKCF-UHFFFAOYSA-N
M.W : 144.12 Pubchem ID :2736754
Synonyms :

Calculated chemistry of [ 2369-29-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 35.17
TPSA : 52.04 ?2

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) : -6.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.98
Log Po/w (XLOGP3) : 0.76
Log Po/w (WLOGP) : 1.99
Log Po/w (MLOGP) : 1.68
Log Po/w (SILICOS-IT) : 1.26
Consensus Log Po/w : 1.33

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.66
Solubility : 3.18 mg/ml ; 0.0221 mol/l
Class : Very soluble
Log S (Ali) : -1.43
Solubility : 5.32 mg/ml ; 0.0369 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.21
Solubility : 0.881 mg/ml ; 0.00611 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.21

Safety of [ 2369-29-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2369-29-1 ]

* 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 [ 2369-29-1 ]

[ 2369-29-1 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 364-30-7 ]
  • [ 2369-29-1 ]
YieldReaction ConditionsOperation in experiment
46% With hydrogenchloride; tin; for 1.5h;Reflux; Concentrated hydrochloric acid (10 mL) was slowly added dropwise to a mixture of difluoronitroaniline 7 (1.6 g, 9 mmol) and tin (22.5mmol). The reaction mixture was heated at reflux for 1.5 h, cooled tor.t., and neutralized with 50% NaOH solution to pH 9-10. The precipitate was filtered, dried, and extracted with hot EtOAc (80 mL). Afterevaporation of the filtrate, diamine 9 was obtained.Yield: 0.60 g (46%); brown crystals; mp 55-57 C; Rf 0.86.
palladium; a) 1,2-Diamino-3,5-difluorobenzene was obtained by hydrogenation of 5 g of 2-amino-3,5-difluoronitrobenzene with 0.8 g of palladium catalyst on carbon at RT and normal pressure. After distilling off the solvent, a dark partially crystalline oil was obtained, which was used without further purification for the preparation of stage b.
With hydrogen;palladium 10% on activated carbon; In ethanol; at 20℃; for 2h; Preparation of (S)-(2-(3,5-dichlorobenzyl)pyrrolidin-1-yl)(5,7-difluoro-3-hydroxyquinoxalin-2-yl)methanone (9-16); Step 1: 10% Pd/C (100 mg) was added a solution in compound 9-11 (500 mg, 2.87 mmol) in EtOH (50 mL). The resulting suspension was stirred under a H2 balloon at room temperature for 2 h. The mixture was filtered through Celite and the filtrate was concentrated in vacuo to give desired product 9-12.
  • 2
  • [ 2369-29-1 ]
  • [ 134-81-6 ]
  • [ 439-17-8 ]
  • 3
  • [ 2369-29-1 ]
  • [ 140-89-6 ]
  • [ 169905-05-9 ]
  • 4
  • [ 59743-08-7 ]
  • [ 2369-29-1 ]
  • 5,7-difluoro-3-oxo-3,4-dihydro-quinoxaline-2-carboxylic acid ethyl ester [ No CAS ]
  • 6,8-difluoro-3-oxo-3,4-dihydro-quinoxaline-2-carboxylic acid ethyl ester [ No CAS ]
  • 5
  • [ 2368-53-8 ]
  • [ 3743-86-0 ]
  • [ 2369-29-1 ]
  • 2-chloro-5-fluoro-1,3-phenylenediamine [ No CAS ]
  • 6
  • 5-carbamimidoyl-1H-benzoimidazol-2-ylacetic acid ethyl ester [ No CAS ]
  • [ 2369-29-1 ]
  • 2-(5,7-difluoro-1<i>H</i>-benzoimidazol-2-ylmethyl)-1<i>H</i>-benzoimidazole-5-carboxamidine [ No CAS ]
  • 7
  • <i>N</i>-{2-amino-5-[2-(4-fluoro-phenoxy)-ethylcarbamoyl]-phenyl}-2,2-difluoro-<i>N</i>-methyl-malonamic acid [ No CAS ]
  • [ 2369-29-1 ]
  • <i>N</i>-(2-amino-3,5-difluoro-phenyl)-<i>N</i>'-{2-amino-5-[2-(4-fluoro-phenoxy)-ethylcarbamoyl]-phenyl}-2,2-difluoro-<i>N</i>'-methyl-malonamide [ No CAS ]
  • 8
  • [ 2369-29-1 ]
  • [ 34570-16-6 ]
  • [ 263410-39-5 ]
  • 9
  • [ 2369-29-1 ]
  • 4,6-Difluoro-2-(1-methyl-1H-benzoimidazol-2-ylmethyl)-1H-benzoimidazole [ No CAS ]
  • 10
  • [ 2369-29-1 ]
  • [ 263409-77-4 ]
  • 11
  • [ 2369-29-1 ]
  • 2-(4,6-difluoro-1<i>H</i>-benzoimidazole-2-carbonyl)-3-methyl-3<i>H</i>-benzoimidazole-5-carboxylic acid [ No CAS ]
  • 12
  • [ 2369-29-1 ]
  • 2-[(4,6-difluoro-1<i>H</i>-benzoimidazol-2-yl)-fluoro-methyl]-3-methyl-3<i>H</i>-benzoimidazole-5-carboxylic acid [ No CAS ]
  • 13
  • [ 2369-29-1 ]
  • [ 903898-37-3 ]
  • 14
  • [ 2369-29-1 ]
  • C21H16F4N4O4 [ No CAS ]
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