天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 56107-02-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 56107-02-9
Chemical Structure| 56107-02-9
Structure of 56107-02-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

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 [ 56107-02-9 ]

Related Doc. of [ 56107-02-9 ]

Alternatived Products of [ 56107-02-9 ]
Product Citations

Product Details of [ 56107-02-9 ]

CAS No. :56107-02-9 MDL No. :MFCD00007081
Formula : C13H8ClNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :YBDBYPQFIMSFJW-UHFFFAOYSA-N
M.W : 261.66 Pubchem ID :41743
Synonyms :

Calculated chemistry of [ 56107-02-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 70.15
TPSA : 62.89 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.83
Log Po/w (XLOGP3) : 3.8
Log Po/w (WLOGP) : 3.48
Log Po/w (MLOGP) : 2.35
Log Po/w (SILICOS-IT) : 1.82
Consensus Log Po/w : 2.66

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.15
Solubility : 0.0185 mg/ml ; 0.0000705 mol/l
Class : Moderately soluble
Log S (Ali) : -4.82
Solubility : 0.004 mg/ml ; 0.0000153 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.86
Solubility : 0.0036 mg/ml ; 0.0000137 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.12

Safety of [ 56107-02-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 56107-02-9 ]

* 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 [ 56107-02-9 ]

[ 56107-02-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2439-54-5 ]
  • [ 56107-02-9 ]
  • [ 56106-91-3 ]
YieldReaction ConditionsOperation in experiment
In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; ethanol; EXAMPLE 4 3-Nitro-4-(N-methyl-N-octylamino)-benzophenone A mixture of 9.23 g. of 3-nitro-4-chloro-benzophenone, 10 ml. of ethanol and 10.3 g. of <strong>[2439-54-5]N-methyl-N-octylamine</strong> is stirred at 80° to 85°C for 30 minutes, and then the mixture is poured onto 100 ml. of ice water. The aqueous phase is extracted with 2*75 ml. of benzene. The benzene phases are combined, washed with distilled water until chloride-free, dried over anhydrous magnesium sulphate, filtered, and evaporated in vacuo. 11.57 g. of 3-nitro-4-(N-methyl-N-octylamino)-benzophenone are obtained in the form of an oily residue. On the basis of thin layer chromatographical examination, a pure, uniform product is obtained. Analysis for C22 H28 N2 O3: Calculated: C 71.71percent H 7.66percent N 7.60percent Found: C 71.65percent H 7.58percent N 7.66percent
Recommend Products
Same Skeleton Products

Technical Information

? Alkyl Halide Occurrence ? Arndt-Eistert Homologation ? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Clemmensen Reduction ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hunsdiecker-Borodin Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Peterson Olefination ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Preparation of Carboxylic Acids ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Carboxylic Acids ? Reformatsky Reaction ? Robinson Annulation ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
Historical Records

Related Functional Groups of
[ 56107-02-9 ]

Aryls

Chemical Structure| 40306-24-9

[ 40306-24-9 ]

(4-Chloro-3-nitrophenyl)(p-tolyl)methanone

Similarity: 1.00

Chemical Structure| 7498-65-9

[ 7498-65-9 ]

bis(4-Chloro-3-nitrophenyl)methanone

Similarity: 1.00

Chemical Structure| 31431-17-1

[ 31431-17-1 ]

(4-Chloro-3-nitrophenyl)(4-chlorophenyl)methanone

Similarity: 1.00

Chemical Structure| 5465-65-6

[ 5465-65-6 ]

4-Chloro-3-nitroacetophenone

Similarity: 0.98

Chemical Structure| 116686-84-1

[ 116686-84-1 ]

1-(3-Chloro-4-nitrophenyl)ethanone

Similarity: 0.96

Chlorides

Chemical Structure| 40306-24-9

[ 40306-24-9 ]

(4-Chloro-3-nitrophenyl)(p-tolyl)methanone

Similarity: 1.00

Chemical Structure| 7498-65-9

[ 7498-65-9 ]

bis(4-Chloro-3-nitrophenyl)methanone

Similarity: 1.00

Chemical Structure| 31431-17-1

[ 31431-17-1 ]

(4-Chloro-3-nitrophenyl)(4-chlorophenyl)methanone

Similarity: 1.00

Chemical Structure| 5465-65-6

[ 5465-65-6 ]

4-Chloro-3-nitroacetophenone

Similarity: 0.98

Chemical Structure| 116686-84-1

[ 116686-84-1 ]

1-(3-Chloro-4-nitrophenyl)ethanone

Similarity: 0.96

Ketones

Chemical Structure| 40306-24-9

[ 40306-24-9 ]

(4-Chloro-3-nitrophenyl)(p-tolyl)methanone

Similarity: 1.00

Chemical Structure| 7498-65-9

[ 7498-65-9 ]

bis(4-Chloro-3-nitrophenyl)methanone

Similarity: 1.00

Chemical Structure| 31431-17-1

[ 31431-17-1 ]

(4-Chloro-3-nitrophenyl)(4-chlorophenyl)methanone

Similarity: 1.00

Chemical Structure| 5465-65-6

[ 5465-65-6 ]

4-Chloro-3-nitroacetophenone

Similarity: 0.98

Chemical Structure| 116686-84-1

[ 116686-84-1 ]

1-(3-Chloro-4-nitrophenyl)ethanone

Similarity: 0.96

Nitroes

Chemical Structure| 40306-24-9

[ 40306-24-9 ]

(4-Chloro-3-nitrophenyl)(p-tolyl)methanone

Similarity: 1.00

Chemical Structure| 7498-65-9

[ 7498-65-9 ]

bis(4-Chloro-3-nitrophenyl)methanone

Similarity: 1.00

Chemical Structure| 31431-17-1

[ 31431-17-1 ]

(4-Chloro-3-nitrophenyl)(4-chlorophenyl)methanone

Similarity: 1.00

Chemical Structure| 5465-65-6

[ 5465-65-6 ]

4-Chloro-3-nitroacetophenone

Similarity: 0.98

Chemical Structure| 116686-84-1

[ 116686-84-1 ]

1-(3-Chloro-4-nitrophenyl)ethanone

Similarity: 0.96

; ;